INSERT INTO `carbons` (`molecularId`, `numeration`, `carbonType`, `shift`, `num2`) VALUES
(1, '1', 'C', 65.2, 1),
(1, '2', 'CH', 79.8, 2),
(1, '3', 'CH', 50.5, 3),
(1, '4', 'C', 94.3, 4),
(1, '5', 'CH', 71.6, 5),
(1, '6', 'CH2', 30.2, 6),
(1, '7', 'CH', 69.9, 7),
(1, '8', 'C', 43, 8),
(1, '9', 'CH', 73.6, 9),
(1, '10', 'CH', 69.3, 10),
(1, '11', 'C', 135.5, 11),
(1, '12', 'C', 145.2, 12),
(1, '13', 'CH', 81.2, 13),
(1, '14', 'CH2', 35.6, 14),
(1, '15', 'C', 87.7, 15),
(1, '16', 'CH3', 24, 16),
(1, '17', 'CH3', 25.3, 17),
(1, '18', 'CH3', 13, 18),
(1, '19', 'CH3', 15.2, 19),
(1, '20', 'CH2', 72.8, 20),
(1, '4a', 'C', 169.2, 4001),
(1, '4b', 'CH3', 21, 4002),
(1, '7a', 'C', 172.3, 7001),
(1, '7b', 'CH3', 20.9, 7002),
(1, '9a', 'C', 169, 9001),
(1, '9b', 'CH3', 21, 9002),
(1, '10a', 'C', 169.1, 10001),
(1, '10b', 'CH3', 20.8, 10002),
(1, '13a', 'C', 170.5, 13001),
(1, '13b', 'CH3', 21.1, 13002),
(1, '15a', 'C', 165.9, 15001),
(1, '15b', 'C', 132.7, 15002),
(1, '15c', 'CH', 129.4, 15003),
(1, '15d', 'CH', 128.3, 15004),
(1, '15e', 'CH', 132.6, 15005),
(1, '15f', 'CH', 128.3, 15006),
(1, '15g', 'CH', 129.4, 15007),
(2, '1', 'C', 65, 1),
(2, '2', 'CH', 80.5, 2),
(2, '3', 'CH', 51, 3),
(2, '4', 'C', 83, 4),
(2, '5', 'CH', 74.1, 5),
(2, '6', 'CH2', 31.4, 6),
(2, '7', 'CH', 70.8, 7),
(2, '8', 'C', 43.7, 8),
(2, '9', 'CH', 73.7, 9),
(2, '10', 'CH', 69.8, 10),
(2, '11', 'C', 133.4, 11),
(2, '12', 'C', 149, 12),
(2, '13', 'CH', 78.5, 13),
(2, '14', 'CH2', 38.9, 14),
(2, '15', 'C', 87.9, 15),
(2, '16', 'CH3', 24, 16),
(2, '17', 'CH3', 25.3, 17),
(2, '18', 'CH3', 12.9, 18),
(2, '19', 'CH3', 15, 19),
(2, '20', 'CH2', 76.3, 20),
(2, '7a', 'C', 171.2, 7001),
(2, '7b', 'CH3', 21.1, 7002),
(2, '9a', 'C', 169.3, 9001),
(2, '9b', 'CH3', 20.9, 9002),
(2, '10a', 'C', 169, 10001),
(2, '10b', 'CH3', 20.7, 10002),
(2, '15a', 'C', 166, 15001),
(2, '15b', 'C', 132.8, 15002),
(2, '15c', 'CH', 129.4, 15003),
(2, '15d', 'CH', 128.3, 15004),
(2, '15e', 'CH', 132.6, 15005),
(2, '15f', 'CH', 128.3, 15006),
(2, '15g', 'CH', 129.4, 15007),
(3, '1', 'C', 59.2, 1),
(3, '2', 'CH', 82.1, 2),
(3, '3', 'CH', 51.6, 3),
(3, '4', 'C', 82.9, 4),
(3, '5', 'CH', 73.4, 5),
(3, '6', 'CH2', 31.6, 6),
(3, '7', 'CH', 70.8, 7),
(3, '8', 'C', 43.8, 8),
(3, '9', 'CH', 73.6, 9),
(3, '10', 'CH', 69.3, 10),
(3, '11', 'C', 135.8, 11),
(3, '12', 'C', 141.3, 12),
(3, '13', 'CH', 81.1, 13),
(3, '14', 'CH2', 38.5, 14),
(3, '15', 'C', 148.9, 15),
(3, '16', 'CH2', 110.6, 16),
(3, '17', 'CH3', 20.9, 17),
(3, '18', 'CH3', 20.1, 18),
(3, '19', 'CH3', 15.2, 19),
(3, '20', 'CH2', 76.5, 20),
(3, '7a', 'C', 170.6, 7001),
(3, '7b', 'CH3', 20, 7002),
(3, '9a', 'C', 169.8, 9001),
(3, '9b', 'CH3', 20.8, 9002),
(3, '10a', 'C', 169, 10001),
(3, '10b', 'CH3', 19.8, 10002),
(3, '13a', 'C', 171.2, 13001),
(3, '13b', 'CH3', 20.4, 13002),
(4, '1', 'C', 59.2, 1),
(4, '2', 'CH', 82.2, 2),
(4, '3', 'CH', 51.6, 3),
(4, '4', 'C', 83, 4),
(4, '5', 'CH', 73.6, 5),
(4, '6', 'CH2', 31.6, 6),
(4, '7', 'CH', 71, 7),
(4, '8', 'C', 43.9, 8),
(4, '9', 'CH', 73.9, 9),
(4, '10', 'CH', 69.7, 10),
(4, '11', 'C', 134.3, 11),
(4, '12', 'C', 144.4, 12),
(4, '13', 'CH', 79.3, 13),
(4, '14', 'CH2', 41.4, 14),
(4, '15', 'C', 149.6, 15),
(4, '16', 'CH2', 110.1, 16),
(4, '17', 'CH3', 20.9, 17),
(4, '18', 'CH3', 12.2, 18),
(4, '19', 'CH3', 15.3, 19),
(4, '20', 'CH2', 76.3, 20),
(4, '7a', 'C', 170.9, 7001),
(4, '7b', 'CH3', 21, 7002),
(4, '9a', 'C', 169.8, 9001),
(4, '9b', 'CH3', 21.2, 9002),
(4, '10a', 'C', 169, 10001),
(4, '10b', 'CH3', 21.3, 10002),
(5, '1', 'CH', 47.5, 1),
(5, '2', 'CH', 72.3, 2),
(5, '3', 'CH', 43.5, 3),
(5, '4', 'C', 77.8, 4),
(5, '5', 'CH', 69.3, 5),
(5, '6', 'CH2', 31.4, 6),
(5, '7', 'CH', 68.1, 7),
(5, '8', 'C', 45.5, 8),
(5, '9', 'CH', 75.6, 9),
(5, '10', 'CH', 71.8, 10),
(5, '11', 'C', 134, 11),
(5, '12', 'C', 138.8, 12),
(5, '13', 'CH', 69.4, 13),
(5, '14', 'CH2', 27, 14),
(5, '15', 'C', 37, 15),
(5, '16', 'CH3', 25.5, 16),
(5, '17', 'CH3', 31.8, 17),
(5, '18', 'CH3', 15.8, 18),
(5, '19', 'CH3', 14.8, 19),
(5, '20', 'CH2', 65, 20),
(5, '2a', 'C', 169.2, 2001),
(5, '2b', 'CH3', 20.6, 2002),
(5, '7a', 'C', 169.5, 7001),
(5, '7b', 'CH3', 20.5, 7002),
(5, '9a', 'C', 171.3, 9001),
(5, '9b', 'CH3', 20.3, 9002),
(5, '10a', 'C', 169, 10001),
(5, '10b', 'CH3', 20.2, 10002),
(5, '13a', 'C', 170.3, 13001),
(5, '13b', 'CH3', 21.4, 13002),
(5, '20a', 'C', 170, 20001),
(5, '20b', 'CH3', 20.4, 20002),
(6, '1', 'C', 67.3, 1),
(6, '2', 'CH', 71.7, 2),
(6, '3', 'CH', 45.9, 3),
(6, '4', 'C', 149.3, 4),
(6, '5', 'CH', 68.8, 5),
(6, '6', 'CH2', 36.6, 6),
(6, '7', 'CH', 72.7, 7),
(6, '8', 'C', 43, 8),
(6, '9', 'CH', 77.4, 9),
(6, '10', 'CH', 66.5, 10),
(6, '11', 'C', 135, 11),
(6, '12', 'C', 148.8, 12),
(6, '13', 'CH', 77.9, 13),
(6, '14', 'CH2', 41.7, 14),
(6, '15', 'C', 76.3, 15),
(6, '16', 'CH3', 21, 16),
(6, '17', 'CH3', 21.7, 17),
(6, '18', 'CH3', 12.7, 18),
(6, '19', 'CH3', 14.9, 19),
(6, '20', 'CH2', 114.1, 20),
(6, '2a', 'C', 173, 2001),
(6, '2b', 'CH3', 28.1, 2002),
(6, '9a', 'C', 172, 9001),
(6, '9b', 'CH3', 28.2, 9002),
(6, '15a', 'C', 172.1, 15001),
(6, '15b', 'CH3', 26.8, 15002),
(7, '1', 'C', 64.1, 1),
(7, '2', 'CH2', 30.5, 2),
(7, '3', 'CH', 41.4, 3),
(7, '4', 'C', 148.7, 4),
(7, '5', 'CH', 76.6, 5),
(7, '6', 'CH2', 28.2, 6),
(7, '7', 'CH2', 28.6, 7),
(7, '8', 'C', 42.9, 8),
(7, '9', 'CH', 79.2, 9),
(7, '10', 'CH', 69.9, 10),
(7, '11', 'C', 139.3, 11),
(7, '12', 'C', 146.8, 12),
(7, '13', 'CH', 80.7, 13),
(7, '14', 'CH2', 45.2, 14),
(7, '15', 'C', 76.7, 15),
(7, '16', 'CH3', 26, 16),
(7, '17', 'CH3', 27.1, 17),
(7, '18', 'CH3', 11.6, 18),
(7, '19', 'CH3', 17.2, 19),
(7, '20', 'CH2', 112.8, 20),
(7, '5a', 'C', 171.5, 5001),
(7, '5b', 'CH3', 20.6, 5002),
(7, '9a', 'C', 171.6, 9001),
(7, '9b', 'CH3', 20.7, 9002),
(7, '10a', 'C', 170.9, 10001),
(7, '10b', 'CH3', 21.3, 10002),
(7, '13a', 'C', 172.4, 13001),
(7, '13b', 'CH3', 20.9, 13002),
(8, '1', 'C', 64.5, 1),
(8, '2', 'CH', 80, 2),
(8, '3', 'CH', 51, 3),
(8, '4', 'C', 82.3, 4),
(8, '5', 'CH', 74, 5),
(8, '6', 'CH2', 30.8, 6),
(8, '7', 'CH', 71, 7),
(8, '8', 'C', 43, 8),
(8, '9', 'CH', 76, 9),
(8, '10', 'CH', 68.3, 10),
(8, '11', 'C', 136, 11),
(8, '12', 'C', 144.5, 12),
(8, '13', 'CH', 79, 13),
(8, '14', 'CH2', 38.2, 14),
(8, '15', 'C', 75, 15),
(8, '16', 'CH3', 26.5, 16),
(8, '17', 'CH3', 27, 17),
(8, '18', 'CH3', 11.8, 18),
(8, '19', 'CH3', 14.2, 19),
(8, '20', 'CH2', 75.7, 20),
(8, '7a', 'C', 170.9, 7001),
(8, '7b', 'CH3', 20.9, 7002),
(8, '9a', 'C', 170.4, 9001),
(8, '9b', 'CH3', 20.6, 9002),
(9, '1', 'C', 64, 1),
(9, '2', 'CH', 79.5, 2),
(9, '3', 'CH', 51.7, 3),
(9, '4', 'C', 82.8, 4),
(9, '5', 'CH', 73.2, 5),
(9, '6', 'CH2', 31, 6),
(9, '7', 'CH', 70.2, 7),
(9, '8', 'C', 43.2, 8),
(9, '9', 'CH', 75.5, 9),
(9, '10', 'CH', 68.5, 10),
(9, '11', 'C', 138.6, 11),
(9, '12', 'C', 141, 12),
(9, '13', 'CH', 81, 13),
(9, '14', 'CH2', 36, 14),
(9, '15', 'C', 76, 15),
(9, '16', 'CH3', 27.8, 16),
(9, '17', 'CH3', 27.6, 17),
(9, '18', 'CH3', 12, 18),
(9, '19', 'CH3', 14.5, 19),
(9, '20', 'CH2', 76, 20),
(9, '7a', 'C', 171, 7001),
(9, '7b', 'CH3', 20.8, 7002),
(9, '9a', 'C', 170.8, 9001),
(9, '9b', 'CH3', 20.5, 9002),
(9, '13a', 'C', 169.5, 13001),
(9, '13b', 'CH3', 20.5, 13002),
(10, '1', 'C', 69.9, 1),
(10, '2', 'CH', 70, 2),
(10, '3', 'CH', 43.2, 3),
(10, '4', 'C', 79.2, 4),
(10, '5', 'CH', 84, 5),
(10, '6', 'CH2', 35.8, 6),
(10, '7', 'CH', 72.5, 7),
(10, '8', 'C', 46.5, 8),
(10, '9', 'CH', 74.1, 9),
(10, '10', 'CH', 69.8, 10),
(10, '11', 'C', 136, 11),
(10, '12', 'C', 137.8, 12),
(10, '13', 'CH', 81.4, 13),
(10, '14', 'CH2', 37.2, 14),
(10, '15', 'C', 76, 15),
(10, '16', 'CH3', 22.7, 16),
(10, '17', 'CH3', 28.3, 17),
(10, '18', 'CH3', 14.9, 18),
(10, '19', 'CH2', 62.2, 19),
(10, '20', 'CH2', 74.7, 20),
(10, '2a', 'C', 167.1, 2001),
(10, '2b', 'C', 133.6, 2002),
(10, '2c', 'CH', 129.3, 2003),
(10, '2d', 'CH', 128.6, 2004),
(10, '2e', 'CH', 130, 2005),
(10, '2f', 'CH', 128.6, 2006),
(10, '2g', 'CH', 129.3, 2007),
(10, '4a', 'C', 169.4, 4001),
(10, '4b', 'CH3', 21, 4002),
(10, '13a', 'C', 170.3, 13001),
(10, '13b', 'CH3', 21.2, 13002),
(10, '19a', 'C', 172.8, 19001),
(10, '19b', 'CH3', 21.5, 19002),
(11, '1', 'C', 68.7, 1),
(11, '2', 'CH', 79.2, 2),
(11, '3', 'CH', 44.2, 3),
(11, '4', 'C', 79.9, 4),
(11, '5', 'CH', 85.1, 5),
(11, '6', 'CH2', 36.9, 6),
(11, '7', 'CH', 72, 7),
(11, '8', 'C', 45.2, 8),
(11, '9', 'CH', 74, 9),
(11, '10', 'CH', 68, 10),
(11, '11', 'C', 136.6, 11),
(11, '12', 'C', 148.1, 12),
(11, '13', 'CH', 77.3, 13),
(11, '14', 'CH2', 39.8, 14),
(11, '15', 'C', 75.9, 15),
(11, '16', 'CH3', 27.7, 16),
(11, '17', 'CH3', 24.7, 17),
(11, '18', 'CH3', 11.5, 18),
(11, '19', 'CH2', 61.2, 19),
(11, '20', 'CH2', 74.2, 20),
(11, '2a', 'C', 165, 2001),
(11, '2b', 'C', 130.3, 2002),
(11, '2c', 'CH', 129.7, 2003),
(11, '2d', 'CH', 128.6, 2004),
(11, '2e', 'CH', 133.4, 2005),
(11, '2f', 'CH', 128.6, 2006),
(11, '2g', 'CH', 129.7, 2007),
(11, '4a', 'C', 170.9, 4001),
(11, '4b', 'CH3', 21.3, 4002),
(11, '19a', 'C', 174, 19001),
(11, '19b', 'CH3', 22.3, 19002),
(12, '1', 'C', 61.4, 1),
(12, '2', 'CH', 69, 2),
(12, '3', 'CH', 41.6, 3),
(12, '4', 'C', 80.2, 4),
(12, '5', 'CH', 84.3, 5),
(12, '6', 'CH2', 35.8, 6),
(12, '7', 'CH', 69.5, 7),
(12, '8', 'C', 50.5, 8),
(12, '9', 'C', 80.4, 9),
(12, '10', 'C', 177, 10),
(12, '11', 'C', 134.5, 11),
(12, '12', 'C', 148, 12),
(12, '13', 'CH', 79.2, 13),
(12, '14', 'CH2', 41.1, 14),
(12, '15', 'CH', 76.5, 15),
(12, '16', 'CH3', 26.7, 16),
(12, '17', 'CH3', 26.8, 17),
(12, '18', 'CH3', 14.5, 18),
(12, '19', 'CH2', 66.8, 19),
(12, '20', 'CH2', 74.3, 20),
(12, '2a', 'C', 164.6, 2001),
(12, '2b', 'C', 134.5, 2002),
(12, '2c', 'CH', 129.5, 2003),
(12, '2d', 'CH', 128.6, 2004),
(12, '2e', 'CH', 133.4, 2005),
(12, '2f', 'CH', 128.6, 2006),
(12, '2g', 'CH', 129.5, 2007),
(12, '4a', 'C', 169.7, 4001),
(12, '4b', 'CH3', 20.8, 4002),
(13, '1', 'C', 68.3, 1),
(13, '2', 'CH', 69.2, 2),
(13, '3', 'CH', 45.5, 3),
(13, '4', 'C', 80.2, 4),
(13, '5', 'CH', 85.6, 5),
(13, '6', 'CH2', 37.1, 6),
(13, '7', 'CH', 70.5, 7),
(13, '8', 'C', 43, 8),
(13, '9', 'CH', 78.8, 9),
(13, '10', 'CH', 69.5, 10),
(13, '11', 'C', 138.3, 11),
(13, '12', 'C', 147.4, 12),
(13, '13', 'CH', 77.4, 13),
(13, '14', 'CH2', 38.5, 14),
(13, '15', 'C', 76.3, 15),
(13, '16', 'CH3', 25, 16),
(13, '17', 'CH3', 28.4, 17),
(13, '18', 'CH3', 11.5, 18),
(13, '19', 'CH3', 12.5, 19),
(13, '20', 'CH2', 75, 20),
(13, '2a', 'C', 170, 2001),
(13, '2b', 'CH3', 21.9, 2002),
(13, '4a', 'C', 170.5, 4001),
(13, '4b', 'CH3', 22, 4002),
(13, '7a', 'C', 171.6, 7001),
(13, '7b', 'CH3', 22.7, 7002),
(14, '1', 'C', 70, 1),
(14, '2', 'CH', 69.3, 2),
(14, '3', 'CH', 44.9, 3),
(14, '4', 'C', 76.7, 4),
(14, '5', 'CH', 71.5, 5),
(14, '6', 'CH2', 33.8, 6),
(14, '7', 'CH', 70.2, 7),
(14, '8', 'C', 44, 8),
(14, '9', 'CH', 81.6, 9),
(14, '10', 'CH', 69.9, 10),
(14, '11', 'C', 139.9, 11),
(14, '12', 'C', 144.8, 12),
(14, '13', 'CH', 77.1, 13),
(14, '14', 'CH2', 39.5, 14),
(14, '15', 'C', 76.5, 15),
(14, '16', 'CH3', 27.2, 16),
(14, '17', 'CH3', 29.6, 17),
(14, '18', 'CH3', 11.8, 18),
(14, '19', 'CH3', 15.8, 19),
(14, '20', 'CH2', 66.8, 20),
(14, '5a', 'C', 170.9, 5001),
(14, '5b', 'CH3', 21.4, 5002),
(14, '20a', 'C', 166.9, 20001),
(14, '20b', 'C', 131, 20002),
(14, '20c', 'CH', 130.2, 20003),
(14, '20d', 'CH', 128.7, 20004),
(14, '20e', 'CH', 133.2, 20005),
(14, '20f', 'CH', 128.7, 20006),
(14, '20g', 'CH', 130.2, 20007),
(15, '1', 'C', 69.2, 1),
(15, '2', 'CH', 72.1, 2),
(15, '3', 'CH', 45.4, 3),
(15, '4', 'C', 44.5, 4),
(15, '5', 'CH', 81.5, 5),
(15, '6', 'CH2', 69.9, 6),
(15, '7', 'CH', 138.8, 7),
(15, '8', 'C', 146.9, 8),
(15, '9', 'CH', 78.3, 9),
(15, '10', 'CH', 40.3, 10),
(15, '11', 'C', 76.6, 11),
(15, '12', 'C', 25.7, 12),
(15, '13', 'CH', 28.7, 13),
(15, '14', 'CH2', 11.5, 14),
(15, '15', 'C', 14.7, 15),
(15, '16', 'CH3', 65.1, 16),
(15, '17', 'CH3', 167.6, 17),
(15, '18', 'CH3', 132, 18),
(15, '19', 'CH3', 130.6, 19),
(15, '20', 'CH2', 129.4, 20),
(15, '2a', 'C', 167.6, 2001),
(15, '2b', 'C', 132, 2002),
(15, '2c', 'CH', 130.6, 2003),
(15, '2d', 'CH', 129.4, 2004),
(15, '2e', 'CH', 133.9, 2005),
(15, '2f', 'CH', 129.4, 2006),
(15, '2g', 'CH', 130.6, 2007),
(15, '20a', 'C', 170.5, 20001),
(15, '20b', 'CH3', 20.1, 20002),
(16, '1', 'C', 68.1, 1),
(16, '2', 'CH', 69.7, 2),
(16, '3', 'CH', 45.4, 3),
(16, '4', 'C', 80.1, 4),
(16, '5', 'CH', 85.7, 5),
(16, '6', 'CH2', 38.6, 6),
(16, '7', 'CH', 73.2, 7),
(16, '8', 'C', 43.2, 8),
(16, '9', 'CH', 81.5, 9),
(16, '10', 'CH', 69.4, 10),
(16, '11', 'C', 138.5, 11),
(16, '12', 'C', 146.2, 12),
(16, '13', 'CH', 76.9, 13),
(16, '14', 'CH2', 40.1, 14),
(16, '15', 'C', 75.9, 15),
(16, '16', 'CH3', 25.1, 16),
(16, '17', 'CH3', 28.5, 17),
(16, '18', 'CH3', 11.8, 18),
(16, '19', 'CH3', 13.1, 19),
(16, '20', 'CH2', 74.8, 20),
(16, '2a', 'C', 171.4, 2001),
(16, '2b', 'CH3', 21.8, 2002),
(16, '4a', 'C', 170.2, 4001),
(16, '4b', 'CH3', 22.4, 4002),
(17, '1', 'C', 69.6, 1),
(17, '2', 'CH', 66.2, 2),
(17, '3', 'CH', 42.1, 3),
(17, '4', 'CH', 43.8, 4),
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(92, '10', 'C', 36.9, 10),
(92, '11', 'CH', 117.7, 11),
(92, '12', 'CH', 123.7, 12),
(92, '13', 'C', 145.6, 13),
(92, '14', 'C', 150.1, 14),
(92, '15', 'CH', 26.9, 15),
(92, '16', 'CH3', 22.5, 16),
(92, '17', 'CH3', 22.7, 17),
(92, '18', 'CH3', 22.1, 18),
(92, '19', 'CH2', 65.7, 19),
(92, '20', 'CH3', 25.4, 20),
(93, '1', 'CH2', 37.6, 1),
(93, '2', 'CH2', 34.7, 2),
(93, '3', 'C', 217.2, 3),
(93, '4', 'C', 47.3, 4),
(93, '5', 'CH', 50.1, 5),
(93, '6', 'CH2', 19.6, 6),
(93, '7', 'CH2', 24.2, 7),
(93, '8', 'C', 113.9, 8),
(93, '9', 'C', 146, 9),
(93, '10', 'C', 37.3, 10),
(93, '11', 'CH', 100.5, 11),
(93, '12', 'C', 156.8, 12),
(93, '13', 'C', 119.2, 13),
(93, '14', 'C', 151.6, 14),
(93, '15', 'CH', 24.3, 15),
(93, '16', 'CH3', 20.9, 16),
(93, '17', 'CH3', 20.8, 17),
(93, '18', 'CH3', 26.7, 18),
(93, '19', 'CH3', 21.1, 19),
(93, '20', 'CH3', 24.2, 20),
(93, '12a', 'CH3', 55.7, 12001),
(94, '1', 'CH', 125, 1),
(94, '2', 'CH2', 27.4, 2),
(94, '3', 'CH2', 22.7, 3),
(94, '4', 'C', 36.7, 4),
(94, '5', 'C', 43, 5),
(94, '6', 'CH', 131.6, 6),
(94, '7', 'CH', 125.6, 7),
(94, '8', 'C', 124.7, 8),
(94, '9', 'C', 116.4, 9),
(94, '10', 'C', 137.7, 10),
(94, '11', 'C', 141.6, 11),
(94, '12', 'C', 140.4, 12),
(94, '13', 'C', 133.4, 13),
(94, '14', 'CH', 116, 14),
(94, '15', 'CH', 27, 15),
(94, '16', 'CH3', 22.6, 16),
(94, '17', 'CH3', 22.2, 17),
(94, '18', 'CH3', 20, 18),
(94, '19', 'CH2', 70.8, 19),
(94, '20', 'CH3', 21.6, 20),
(94, '19a', 'C', 167.4, 19001),
(94, '19b', 'C', 122.4, 19002),
(94, '19c', 'CH', 116.6, 19003),
(94, '19d', 'C', 143.4, 19004),
(94, '19e', 'C', 149.1, 19005),
(94, '19f', 'CH', 115, 19006),
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(95, '1', 'CH', 36.2, 1),
(95, '2', 'CH2', 19.4, 2),
(95, '3', 'CH2', 36.4, 3),
(95, '4', 'C', 37.8, 4),
(95, '5', 'C', 53.5, 5),
(95, '6', 'CH2', 19.7, 6),
(95, '7', 'CH2', 33.2, 7),
(95, '8', 'C', 135, 8),
(95, '9', 'C', 133.8, 9),
(95, '10', 'C', 39.3, 10),
(95, '11', 'C', 145.8, 11),
(95, '12', 'C', 137.9, 12),
(95, '13', 'C', 134.4, 13),
(95, '14', 'CH', 118.4, 14),
(95, '15', 'CH', 27.5, 15),
(95, '16', 'CH3', 23, 16),
(95, '17', 'CH3', 23, 17),
(95, '18', 'CH3', 28, 18),
(95, '19', 'CH2', 68.4, 19),
(95, '20', 'CH3', 20.5, 20),
(95, '12a', 'C', 165.1, 12001),
(95, '12b', 'CH', 114.2, 12002),
(95, '12c', 'C', 162.3, 12003),
(95, '12d', 'CH3', 27.8, 12004),
(95, '12ad', 'CH3', 20.8, 12104),
(95, '19a', 'C', 167.3, 19001),
(95, '19b', 'C', 122.6, 19002),
(95, '19c', 'CH', 116.5, 19003),
(95, '19d', 'C', 143.4, 19004),
(95, '19e', 'C', 148.9, 19005),
(95, '19f', 'CH', 114.7, 19006),
(95, '19g', 'CH', 123.6, 19007),
(96, '1', 'CH2', 19, 1),
(96, '2', 'CH2', 28.5, 2),
(96, '3', 'CH2', 37.7, 3),
(96, '4', 'C', 34.7, 4),
(96, '5', 'C', 144.9, 5),
(96, '6', 'C', 153.5, 6),
(96, '7', 'CH', 126.9, 7),
(96, '8', 'C', 133.6, 8),
(96, '9', 'C', 126.3, 9),
(96, '10', 'C', 144.4, 10),
(96, '11', 'C', 182.5, 11),
(96, '12', 'CH', 140.6, 12),
(96, '13', 'C', 138.5, 13),
(96, '14', 'C', 182, 14),
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(96, '16', 'CH3', 21.7, 16),
(96, '17', 'CH3', 21.6, 17),
(96, '18', 'CH3', 31.2, 18),
(96, '19', 'CH3', 31.2, 19),
(96, '20', 'CH3', 16.7, 20),
(97, '1', 'CH2', 30, 1),
(97, '2', 'CH2', 26.8, 2),
(97, '3', 'CH2', 38.3, 3),
(97, '4', 'C', 148.6, 4),
(97, '5', 'C', 144.5, 5),
(97, '6', 'CH', 136.6, 6),
(97, '7', 'CH', 128, 7),
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(97, '9', 'C', 128.2, 9),
(97, '10', 'C', 145.6, 10),
(97, '11', 'C', 182.2, 11),
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(97, '13', 'C', 140, 13),
(97, '14', 'C', 181.5, 14),
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(97, '16', 'CH3', 21.4, 16),
(97, '17', 'CH3', 21.5, 17),
(97, '18', 'CH2', 110, 18),
(97, '19', 'CH3', 22.3, 19),
(97, '20', 'CH3', 19.7, 20),
(98, '1', 'CH2', 38.6, 1),
(98, '2', 'CH2', 18.9, 2),
(98, '3', 'CH2', 42.9, 3),
(98, '4', 'C', 72.4, 4),
(98, '5', 'CH', 56.4, 5),
(98, '6', 'CH2', 21.6, 6),
(98, '7', 'CH2', 35.6, 7),
(98, '8', 'C', 136.6, 8),
(98, '9', 'CH', 50.3, 9),
(98, '10', 'C', 39, 10),
(98, '11', 'CH2', 20.3, 11),
(98, '12', 'CH2', 34.5, 12),
(98, '13', 'C', 37.4, 13),
(98, '14', 'CH', 129.1, 14),
(98, '15', 'CH', 148.9, 15),
(98, '16', 'CH2', 110.1, 16),
(98, '17', 'CH3', 26, 17),
(98, '19', 'CH3', 23.5, 19),
(98, '20', 'CH3', 14.5, 20),
(99, '1', 'CH2', 38, 1),
(99, '2', 'CH2', 20.5, 2),
(99, '3', 'CH2', 42.7, 3),
(99, '4', 'C', 72.5, 4),
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(99, '6', 'CH2', 18, 6),
(99, '7', 'CH2', 30.3, 7),
(99, '8', 'C', 134.8, 8),
(99, '9', 'C', 145.6, 9),
(99, '10', 'C', 38.2, 10),
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(99, '13', 'C', 146.3, 13),
(99, '14', 'CH', 127, 14),
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(99, '16', 'CH3', 23.9, 16),
(99, '17', 'CH3', 23.9, 17),
(99, '19', 'CH3', 22.9, 19),
(99, '20', 'CH3', 24.5, 20),
(100, '1', 'CH2', 38.2, 1),
(100, '2', 'CH2', 18.5, 2),
(100, '3', 'CH2', 40.8, 3),
(100, '4', 'C', 72.2, 4),
(100, '5', 'CH', 48.7, 5),
(100, '6', 'CH2', 18, 6),
(100, '7', 'CH2', 29.4, 7),
(100, '8', 'C', 134.7, 8),
(100, '9', 'C', 145.6, 9),
(100, '10', 'C', 37.2, 10),
(100, '11', 'CH', 123.8, 11),
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(100, '13', 'C', 146.8, 13),
(100, '14', 'CH', 126.8, 14),
(100, '15', 'CH', 33.4, 15),
(100, '16', 'CH3', 24, 16),
(100, '17', 'CH3', 24, 17),
(100, '19', 'CH3', 30.8, 19),
(100, '20', 'CH3', 24.4, 20),
(101, '1', 'CH2', 38, 1),
(101, '2', 'CH2', 18.2, 2),
(101, '3', 'CH2', 36, 3),
(101, '4', 'C', 84.7, 4),
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(101, '6', 'CH2', 18.2, 6),
(101, '7', 'CH2', 29.4, 7),
(101, '8', 'C', 134.5, 8),
(101, '9', 'C', 146.4, 9),
(101, '10', 'C', 37.3, 10),
(101, '11', 'CH', 124, 11),
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(101, '13', 'C', 145.9, 13),
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(101, '16', 'CH3', 24, 16),
(101, '17', 'CH3', 24, 17),
(101, '19', 'CH3', 26.1, 19),
(101, '20', 'CH3', 24.6, 20),
(101, '4a', 'CH', 160.5, 4001),
(102, '1', 'CH2', 37.7, 1),
(102, '2', 'CH2', 20, 2),
(102, '3', 'CH2', 35.3, 3),
(102, '4', 'C', 84.9, 4),
(102, '5', 'CH', 45.4, 5),
(102, '6', 'CH2', 17.9, 6),
(102, '7', 'CH2', 30, 7),
(102, '8', 'C', 134.8, 8),
(102, '9', 'C', 146.3, 9),
(102, '10', 'C', 38.3, 10),
(102, '11', 'CH', 124.5, 11),
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(102, '13', 'C', 145.7, 13),
(102, '14', 'CH', 127, 14),
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(102, '16', 'CH3', 23.9, 16),
(102, '17', 'CH3', 23.9, 17),
(102, '19', 'CH3', 24.7, 19),
(102, '20', 'CH3', 18.2, 20),
(103, '1', 'CH2', 38.5, 1),
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(103, '3', 'CH2', 34.8, 3),
(103, '4', 'C', 84.1, 4),
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(103, '6', 'CH2', 18.4, 6),
(103, '7', 'CH2', 30.2, 7),
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(103, '9', 'C', 146.4, 9),
(103, '10', 'C', 37.3, 10),
(103, '11', 'CH', 124.2, 11),
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(103, '16', 'CH3', 24, 16),
(103, '17', 'CH3', 24, 17),
(103, '19', 'CH3', 24.4, 19),
(103, '20', 'CH3', 25.3, 20),
(104, '1', 'CH2', 37.2, 1),
(104, '2', 'CH2', 20.1, 2),
(104, '3', 'CH2', 42.3, 3),
(104, '4', 'C', 71.6, 4),
(104, '5', 'CH', 51, 5),
(104, '6', 'CH2', 35, 6),
(104, '7', 'C', 199.2, 7),
(104, '8', 'C', 130.6, 8),
(104, '9', 'C', 152.8, 9),
(104, '10', 'C', 38.6, 10),
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(104, '13', 'C', 146.8, 13),
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(104, '16', 'CH3', 23.7, 16),
(104, '17', 'CH3', 23.8, 17),
(104, '19', 'CH3', 22.7, 19),
(104, '20', 'CH3', 22.6, 20),
(105, '1', 'CH2', 37.2, 1),
(105, '2', 'CH2', 18, 2),
(105, '3', 'CH2', 40.7, 3),
(105, '4', 'C', 71.4, 4),
(105, '5', 'CH', 48.1, 5),
(105, '6', 'CH2', 35.5, 6),
(105, '7', 'C', 199.6, 7),
(105, '8', 'C', 130.9, 8),
(105, '9', 'C', 153, 9),
(105, '10', 'C', 37.5, 10),
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(105, '13', 'C', 146.7, 13),
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(105, '16', 'CH3', 23.8, 16),
(105, '17', 'CH3', 23.8, 17),
(105, '18', 'CH3', 30.1, 18),
(105, '20', 'CH3', 23.9, 20),
(106, '1', 'CH2', 37.4, 1),
(106, '2', 'CH2', 17.9, 2),
(106, '3', 'CH2', 34.3, 3),
(106, '4', 'C', 83.1, 4),
(106, '5', 'CH', 49.1, 5),
(106, '6', 'CH2', 35.3, 6),
(106, '7', 'C', 199.4, 7),
(106, '8', 'C', 130.7, 8),
(106, '9', 'C', 152.8, 9),
(106, '10', 'C', 37.6, 10),
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(106, '18', 'CH3', 23.8, 18),
(106, '20', 'CH3', 24.6, 20),
(107, '1', 'CH2', 38.1, 1),
(107, '2', 'CH2', 18.3, 2),
(107, '3', 'CH2', 34.7, 3),
(107, '4', 'C', 84, 4),
(107, '5', 'CH', 44.8, 5),
(107, '6', 'CH2', 28.1, 6),
(107, '7', 'CH', 68.3, 7),
(107, '8', 'C', 135.7, 8),
(107, '9', 'C', 146.4, 9),
(107, '10', 'C', 37.6, 10),
(107, '11', 'CH', 127.6, 11),
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(107, '13', 'C', 146.5, 13),
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(107, '16', 'CH3', 23.8, 16),
(107, '17', 'CH3', 24, 17),
(107, '19', 'CH3', 24.8, 19),
(107, '20', 'CH3', 24.4, 20),
(108, '1', 'CH2', 38.6, 1),
(108, '2', 'CH2', 18, 2),
(108, '3', 'CH2', 41.2, 3),
(108, '4', 'C', 71.6, 4),
(108, '5', 'CH', 48.9, 5),
(108, '6', 'CH2', 27.5, 6),
(108, '7', 'CH', 120.8, 7),
(108, '8', 'C', 135.7, 8),
(108, '9', 'CH', 49.9, 9),
(108, '10', 'C', 34.8, 10),
(108, '11', 'CH2', 22.6, 11),
(108, '12', 'CH2', 23, 12),
(108, '13', 'C', 145.3, 13),
(108, '14', 'CH', 122.5, 14),
(108, '15', 'CH', 34.9, 15),
(108, '16', 'CH3', 20.9, 16),
(108, '17', 'CH3', 21.4, 17),
(108, '18', 'CH3', 30.6, 18),
(108, '20', 'CH3', 13.3, 20),
(109, '1', 'CH2', 37.7, 1),
(109, '2', 'CH2', 17.1, 2),
(109, '3', 'CH2', 39.8, 3),
(109, '4', 'C', 69.6, 4),
(109, '5', 'CH', 62.4, 5),
(109, '6', 'C', 202.8, 6),
(109, '7', 'CH', 131.4, 7),
(109, '8', 'C', 155.2, 8),
(109, '9', 'CH', 51.3, 9),
(109, '10', 'C', 43.8, 10),
(109, '11', 'CH2', 15.4, 11),
(109, '12', 'CH2', 23.4, 12),
(109, '13', 'C', 64.4, 13),
(109, '14', 'CH', 58.8, 14),
(109, '15', 'CH', 33.4, 15),
(109, '16', 'CH3', 17.6, 16),
(109, '17', 'CH3', 17.9, 17),
(109, '18', 'CH3', 31, 18),
(109, '20', 'CH3', 13.9, 20),
(110, '1', 'CH2', 38.5, 1),
(110, '2', 'CH2', 27.2, 2),
(110, '3', 'CH', 79.1, 3),
(110, '4', 'C', 38.8, 4),
(110, '5', 'CH', 55.3, 5),
(110, '6', 'CH2', 18.4, 6),
(110, '7', 'CH2', 32.8, 7),
(110, '8', 'C', 39.5, 8),
(110, '9', 'CH', 47.7, 9),
(110, '10', 'C', 37.1, 10),
(110, '11', 'CH2', 23.3, 11),
(110, '12', 'CH', 122.3, 12),
(110, '13', 'C', 143.4, 13),
(110, '14', 'C', 41.9, 14),
(110, '15', 'CH2', 27.3, 15),
(110, '16', 'CH2', 23.5, 16),
(110, '17', 'C', 46.8, 17),
(110, '18', 'CH', 41.3, 18),
(110, '19', 'CH2', 46.1, 19),
(110, '20', 'C', 30.6, 20),
(110, '21', 'CH2', 34, 21),
(110, '22', 'CH2', 32.4, 22),
(110, '23', 'CH3', 28.1, 23),
(110, '24', 'CH3', 15.6, 24),
(110, '25', 'CH3', 15.4, 25),
(110, '26', 'CH3', 17.4, 26),
(110, '27', 'CH3', 25.6, 27),
(110, '28', 'C', 175.4, 28),
(110, '29', 'CH3', 33, 29),
(110, '30', 'CH3', 23.6, 30),
(110, '1''', 'CH2', 35.6, 101),
(110, '2''', 'CH2', 20.9, 102),
(110, '3''', 'CH2', 40.4, 103),
(110, '4''', 'C', 41.9, 104),
(110, '5''', 'CH', 42.9, 105),
(110, '6''', 'CH2', 25.5, 106),
(110, '7''', 'CH', 61.5, 107),
(110, '8''', 'C', 140.7, 108),
(110, '9''', 'C', 143.8, 109),
(110, '10''', 'C', 37.6, 110),
(110, '11''', 'C', 183.4, 111),
(110, '12''', 'C', 150.6, 112),
(110, '13''', 'C', 125.9, 113),
(110, '14''', 'C', 184.2, 114),
(110, '15''', 'CH', 24.6, 115),
(110, '16''', 'CH3', 20.1, 116),
(110, '17''', 'CH3', 19.5, 117),
(110, '18''', 'CH3', 23.1, 118),
(110, '19''', 'C', 174.7, 119),
(110, '20''', 'CH2', 73.4, 120),
(111, '1', 'CH', 127.7, 1),
(111, '2', 'CH2', 23.3, 2),
(111, '3', 'CH2', 40, 3),
(111, '4', 'C', 37.8, 4),
(111, '5', 'CH', 44.9, 5),
(111, '6', 'CH2', 35.4, 6),
(111, '7', 'C', 198.4, 7),
(111, '8', 'C', 122.7, 8),
(111, '9', 'C', 134.6, 9),
(111, '10', 'C', 133.4, 10),
(111, '11', 'CH', 109.6, 11),
(111, '12', 'C', 158.2, 12),
(111, '13', 'C', 141.6, 13),
(111, '14', 'CH', 124.5, 14),
(111, '15', 'CH', 26.9, 15),
(111, '16', 'CH3', 26.9, 16),
(111, '17', 'CH3', 22.3, 17),
(111, '18', 'CH3', 29.8, 18),
(111, '19', 'CH3', 22.4, 19),
(112, '1', 'CH', 126.9, 1),
(112, '2', 'CH2', 23.4, 2),
(112, '3', 'CH2', 36.9, 3),
(112, '4', 'C', 38.9, 4),
(112, '5', 'CH', 45.9, 5),
(112, '6', 'CH2', 19.4, 6),
(112, '7', 'CH2', 30.2, 7),
(112, '8', 'C', 125.4, 8),
(112, '9', 'C', 133.9, 9),
(112, '10', 'C', 133.4, 10),
(112, '11', 'CH', 109.4, 11),
(112, '12', 'C', 158.2, 12),
(112, '13', 'C', 138.2, 13),
(112, '14', 'CH', 116.7, 14),
(112, '15', 'CH', 29.7, 15),
(112, '16', 'CH3', 26.7, 16),
(112, '17', 'CH3', 20.9, 17),
(112, '18', 'CH3', 31.6, 18),
(112, '19', 'CH3', 22.6, 19),
(113, '1', 'CH2', 36.2, 1),
(113, '2', 'CH2', 18.7, 2),
(113, '3', 'CH2', 40.9, 3),
(113, '4', 'C', 31.8, 4),
(113, '5', 'CH', 48.8, 5),
(113, '6', 'CH', 67.8, 6),
(113, '7', 'CH2', 42.5, 7),
(113, '8', 'C', 148.8, 8),
(113, '9', 'C', 153.3, 9),
(113, '10', 'C', 38.9, 10),
(113, '11', 'C', 182.4, 11),
(113, '12', 'C', 183.6, 12),
(113, '13', 'C', 136, 13),
(113, '14', 'CH', 132.3, 14),
(113, '15', 'CH', 26, 15),
(113, '16', 'CH3', 20.3, 16),
(113, '17', 'CH3', 20.6, 17),
(113, '18', 'CH3', 33.3, 18),
(113, '19', 'CH3', 21.7, 19),
(113, '20', 'CH3', 19.9, 20),
(114, '1', 'CH2', 31.7, 1),
(114, '2', 'CH2', 22.8, 2),
(114, '3', 'CH2', 41.7, 3),
(114, '4', 'C', 38.8, 4),
(114, '5', 'CH', 44.1, 5),
(114, '6', 'CH2', 18.9, 6),
(114, '7', 'CH2', 30.1, 7),
(114, '8', 'C', 124.3, 8),
(114, '9', 'C', 134.2, 9),
(114, '10', 'CH', 36.9, 10),
(114, '11', 'CH', 110.9, 11),
(114, '12', 'C', 156.5, 12),
(114, '13', 'C', 140.3, 13),
(114, '14', 'CH', 115.4, 14),
(114, '15', 'CH', 29.6, 15),
(114, '16', 'CH3', 26.8, 16),
(114, '17', 'CH3', 22.6, 17),
(114, '18', 'CH3', 33.3, 18),
(114, '19', 'CH3', 22.9, 19),
(115, '1', 'CH2', 38.5, 1),
(115, '2', 'CH2', 17.7, 2),
(115, '3', 'CH2', 37.1, 3),
(115, '4', 'C', 45.9, 4),
(115, '5', 'CH', 48.2, 5),
(115, '6', 'CH2', 24, 6),
(115, '7', 'CH2', 34.6, 7),
(115, '8', 'C', 137.4, 8),
(115, '9', 'CH', 50.6, 9),
(115, '10', 'C', 37.9, 10),
(115, '11', 'CH2', 18.2, 11),
(115, '12', 'CH2', 36.2, 12),
(115, '13', 'C', 37.7, 13),
(115, '14', 'CH', 127.5, 14),
(115, '15', 'CH', 146.6, 15),
(115, '16', 'CH2', 112.6, 16),
(115, '17', 'CH3', 29.4, 17),
(115, '18', 'C', 179.1, 18),
(115, '19', 'CH3', 16.7, 19),
(115, '20', 'CH3', 14.4, 20),
(116, '1', 'CH2', 37.1, 1),
(116, '2', 'CH2', 17.6, 2),
(116, '3', 'CH2', 36.4, 3),
(116, '4', 'C', 46.1, 4),
(116, '5', 'CH', 48.5, 5),
(116, '6', 'CH2', 24.4, 6),
(116, '7', 'CH2', 34.9, 7),
(116, '8', 'C', 137.4, 8),
(116, '9', 'CH', 47, 9),
(116, '10', 'C', 37.5, 10),
(116, '11', 'CH2', 25.4, 11),
(116, '12', 'CH', 67.3, 12),
(116, '13', 'C', 72, 13),
(116, '14', 'CH', 125.2, 14),
(116, '15', 'CH', 34.3, 15),
(116, '16', 'CH3', 16.6, 16),
(116, '17', 'CH3', 17.3, 17),
(116, '18', 'C', 178.5, 18),
(116, '19', 'CH3', 16.4, 19),
(116, '20', 'CH3', 14.6, 20),
(117, '1', 'CH2', 38.6, 1),
(117, '2', 'CH2', 17.8, 2),
(117, '3', 'CH2', 37.8, 3),
(117, '4', 'C', 45.9, 4),
(117, '5', 'CH', 41.9, 5),
(117, '6', 'CH2', 24.9, 6),
(117, '7', 'CH', 69.2, 7),
(117, '8', 'C', 142, 8),
(117, '9', 'C', 70.4, 9),
(117, '10', 'C', 37.3, 10),
(117, '11', 'CH', 71, 11),
(117, '12', 'CH2', 38.6, 12),
(117, '13', 'CH', 41.9, 13),
(117, '14', 'CH', 126.3, 14),
(117, '15', 'CH', 31.9, 15),
(117, '16', 'CH3', 16.1, 16),
(117, '17', 'CH3', 16.3, 17),
(117, '18', 'C', 179.3, 18),
(117, '19', 'CH3', 16.9, 19),
(117, '20', 'CH3', 14.1, 20),
(118, '1', 'CH2', 37.7, 1),
(118, '2', 'CH2', 18.7, 2),
(118, '3', 'CH2', 41.1, 3),
(118, '4', 'C', 33, 4),
(118, '5', 'CH', 43.4, 5),
(118, '6', 'CH2', 24.3, 6),
(118, '7', 'CH', 130.6, 7),
(118, '8', 'C', 134, 8),
(118, '9', 'C', 76.3, 9),
(118, '10', 'C', 42.1, 10),
(118, '11', 'CH', 68.8, 11),
(118, '12', 'CH2', 39, 12),
(118, '13', 'C', 73.9, 13),
(118, '14', 'CH2', 41.7, 14),
(118, '15', 'CH', 34.6, 15),
(118, '16', 'CH3', 16.8, 16),
(118, '17', 'CH3', 16.7, 17),
(118, '18', 'CH3', 33.8, 18),
(118, '19', 'CH3', 22.6, 19),
(118, '20', 'CH3', 17.2, 20),
(119, '1', 'CH2', 37.1, 1),
(119, '2', 'CH2', 48.9, 2),
(119, '3', 'CH2', 41.4, 3),
(119, '4', 'C', 33, 4),
(119, '5', 'CH', 49.7, 5),
(119, '6', 'CH2', 30.1, 6),
(119, '7', 'CH', 72.1, 7),
(119, '8', 'C', 126.8, 8),
(119, '9', 'C', 141.8, 9),
(119, '10', 'C', 38.4, 10),
(119, '11', 'CH2', 21, 11),
(119, '12', 'CH2', 31.8, 12),
(119, '13', 'C', 72.2, 13),
(119, '14', 'CH2', 36.5, 14),
(119, '15', 'CH', 34.4, 15),
(119, '16', 'CH3', 16.7, 16),
(119, '17', 'CH3', 16.8, 17),
(119, '18', 'CH3', 33, 18),
(119, '19', 'CH3', 21.6, 19),
(119, '20', 'CH3', 20.2, 20),
(120, '1', 'CH2', 38.7, 1),
(120, '2', 'CH2', 18.4, 2),
(120, '3', 'CH2', 35.2, 3),
(120, '4', 'C', 37.2, 4),
(120, '5', 'CH', 39.6, 5),
(120, '6', 'CH2', 28.7, 6),
(120, '7', 'CH', 73.3, 7),
(120, '8', 'C', 139.4, 8),
(120, '9', 'CH', 46.3, 9),
(120, '10', 'C', 38.3, 10),
(120, '11', 'CH2', 18.4, 11),
(120, '12', 'CH2', 34.4, 12),
(120, '13', 'C', 37.6, 13),
(120, '14', 'CH', 134.1, 14),
(120, '15', 'CH', 148.4, 15),
(120, '16', 'CH2', 110.7, 16),
(120, '17', 'CH3', 25.8, 17),
(120, '18', 'CH3', -9999, 18),
(120, '19', 'CH3', 18.1, 19),
(120, '20', 'CH3', 14.9, 20),
(121, '1', 'CH2', 33.8, 1),
(121, '2', 'CH2', 22.7, 2),
(121, '3', 'CH', 77, 3),
(121, '4', 'C', 36.7, 4),
(121, '5', 'CH', 48.9, 5),
(121, '6', 'CH2', 20.4, 6),
(121, '7', 'CH2', 34.6, 7),
(121, '8', 'C', 60.9, 8),
(121, '9', 'CH', 48.7, 9),
(121, '10', 'C', 38.9, 10),
(121, '11', 'CH2', 23.8, 11),
(121, '12', 'CH', 75.5, 12),
(121, '13', 'C', 155.5, 13),
(121, '14', 'CH', 56.1, 14),
(121, '15', 'C', 128.8, 15),
(121, '16', 'C', 174.2, 16),
(121, '17', 'CH3', 8.8, 17),
(121, '18', 'CH3', 28.4, 18),
(121, '19', 'CH3', 22.2, 19),
(121, '20', 'CH3', 19.2, 20),
(121, '3a', 'C', 170.5, 3001),
(121, '3b', 'CH3', 21.2, 3002),
(122, '1', 'CH2', 33.8, 1),
(122, '2', 'CH2', 22.1, 2),
(122, '3', 'CH', 78.5, 3),
(122, '4', 'C', 36.6, 4),
(122, '5', 'CH', 52.3, 5),
(122, '6', 'CH', 69.3, 6),
(122, '7', 'CH2', 39.9, 7),
(122, '8', 'C', 59.4, 8),
(122, '9', 'CH', 48.2, 9),
(122, '10', 'C', 38.9, 10),
(122, '11', 'CH2', 24, 11),
(122, '12', 'CH', 74.9, 12),
(122, '13', 'C', 154.4, 13),
(122, '14', 'CH', 55.2, 14),
(122, '15', 'C', 129.4, 15),
(122, '16', 'C', 173.3, 16),
(122, '17', 'CH3', 8.6, 17),
(122, '18', 'CH3', 31.1, 18),
(122, '19', 'CH3', 22.2, 19),
(122, '20', 'CH3', 20.3, 20),
(122, '3a', 'C', 169.8, 3001),
(122, '3b', 'CH3', 20.9, 3002),
(122, '6a', 'C', 170, 6001),
(122, '6b', 'CH3', 21.5, 6002),
(123, '1', 'CH', 155.3, 1),
(123, '2', 'CH', 124, 2),
(123, '3', 'C', 204.3, 3),
(123, '4', 'C', 49.4, 4),
(123, '5', 'CH', 49.6, 5),
(123, '6', 'CH2', 20.9, 6),
(123, '7', 'CH2', 34.8, 7),
(123, '8', 'C', 60.6, 8),
(123, '9', 'CH', 39.6, 9),
(123, '10', 'C', 36.6, 10),
(123, '11', 'CH2', 26.3, 11),
(123, '12', 'CH', 76.1, 12),
(123, '13', 'C', 154.9, 13),
(123, '14', 'CH', 55.9, 14),
(123, '15', 'C', 128.4, 15),
(123, '16', 'C', 173.9, 16),
(123, '17', 'CH3', 8.8, 17),
(123, '18', 'CH3', 31.5, 18),
(123, '19', 'CH3', 22.3, 19),
(123, '20', 'CH3', 17.8, 20),
(124, '1', 'CH', 155.5, 1),
(124, '2', 'CH', 124, 2),
(124, '3', 'C', 205.5, 3),
(124, '4', 'C', 49, 4),
(124, '5', 'CH', 49.8, 5),
(124, '6', 'CH2', 21.6, 6),
(124, '7', 'CH2', 40.4, 7),
(124, '8', 'C', 73.1, 8),
(124, '9', 'CH', 46.8, 9),
(124, '10', 'C', 36.3, 10),
(124, '11', 'CH2', 31.2, 11),
(124, '12', 'CH', 73.7, 12),
(124, '13', 'C', 155, 13),
(124, '14', 'CH', 70, 14),
(124, '15', 'C', 126.9, 15),
(124, '16', 'C', 174.1, 16),
(124, '17', 'CH3', 8.5, 17),
(124, '18', 'CH3', 31.6, 18),
(124, '19', 'CH3', 20.9, 19),
(124, '20', 'CH3', 17.4, 20),
(124, '14a', 'C', 168.5, 14001),
(124, '14b', 'CH3', 20.7, 14002),
(125, '1', 'C', 216, 1),
(125, '2', 'CH2', 43.9, 2),
(125, '3', 'CH', 80.1, 3),
(125, '4', 'C', 39, 4),
(125, '5', 'CH', 51.1, 5),
(125, '6', 'CH2', 21.5, 6),
(125, '7', 'CH2', 42.3, 7),
(125, '8', 'C', 75.9, 8),
(125, '9', 'CH', 48.7, 9),
(125, '10', 'C', 54.4, 10),
(125, '11', 'CH2', 32.7, 11),
(125, '12', 'CH', 78.9, 12),
(125, '13', 'C', 164.8, 13),
(125, '14', 'CH', 73.5, 14),
(125, '15', 'C', 122.8, 15),
(125, '16', 'C', 177.2, 16),
(125, '17', 'CH3', 8.3, 17),
(125, '18', 'CH3', 28.5, 18),
(125, '19', 'CH3', 22.7, 19),
(125, '20', 'CH3', 16.9, 20),
(126, '1', 'CH2', 29.9, 1),
(126, '2', 'CH2', 29.1, 2),
(126, '3', 'C', 98.3, 3),
(126, '4', 'C', 39.9, 4),
(126, '5', 'CH', 41.1, 5),
(126, '6', 'CH2', 27.8, 6),
(126, '7', 'CH', 68.8, 7),
(126, '8', 'C', 132.1, 8),
(126, '9', 'C', 122, 9),
(126, '10', 'C', 41.6, 10),
(126, '11', 'C', 147.9, 11),
(126, '12', 'C', 144.4, 12),
(126, '13', 'C', 140.4, 13),
(126, '14', 'CH', 119.2, 14),
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(126, '16', 'CH3', 23.4, 16),
(126, '17', 'CH3', 23.4, 17),
(126, '18', 'CH3', 26.3, 18),
(126, '19', 'CH3', 18.1, 19),
(126, '20', 'CH2', 66.2, 20),
(126, '12a', 'CH3', 61.8, 12001),
(127, '1', 'CH2', 37.1, 1),
(127, '2', 'CH2', 20.1, 2),
(127, '3', 'CH2', 42.5, 3),
(127, '4', 'C', 71.5, 4),
(127, '5', 'CH', 50.9, 5),
(127, '6', 'CH2', 35, 6),
(127, '7', 'C', 198.8, 7),
(127, '8', 'C', 130.4, 8),
(127, '9', 'C', 153.5, 9),
(127, '10', 'C', 38.6, 10),
(127, '11', 'CH', 124, 11),
(127, '12', 'CH', 130.5, 12),
(127, '13', 'C', 147.2, 13),
(127, '14', 'CH', 123.1, 14),
(127, '15', 'C', 72.2, 15),
(127, '16', 'CH3', 31.6, 16),
(127, '17', 'CH3', 31.6, 17),
(127, '19', 'CH3', 22.7, 19),
(127, '20', 'CH3', 22.7, 20),
(128, '1', 'CH2', 37.1, 1),
(128, '2', 'CH2', 18, 2),
(128, '3', 'CH2', 40.7, 3),
(128, '4', 'C', 71.4, 4),
(128, '5', 'CH', 47.9, 5),
(128, '6', 'CH2', 35.3, 6),
(128, '7', 'C', 199.4, 7),
(128, '8', 'C', 130.7, 8),
(128, '9', 'C', 153.8, 9),
(128, '10', 'C', 37.5, 10),
(128, '11', 'CH', 123.6, 11),
(128, '12', 'CH', 130.4, 12),
(128, '13', 'C', 147, 13),
(128, '14', 'CH', 123.1, 14),
(128, '15', 'C', 72.3, 15),
(128, '16', 'CH3', 31.3, 16),
(128, '17', 'CH3', 31.6, 17),
(128, '18', 'CH3', 30.1, 18),
(128, '20', 'CH3', 23.8, 20),
(129, '1', 'CH2', 38, 1),
(129, '2', 'CH2', 20.5, 2),
(129, '3', 'CH2', 42.7, 3),
(129, '4', 'C', 72.4, 4),
(129, '5', 'CH', 52.4, 5),
(129, '6', 'CH2', 18, 6),
(129, '7', 'CH2', 30.5, 7),
(129, '8', 'C', 134.8, 8),
(129, '9', 'C', 147.4, 9),
(129, '10', 'C', 38.3, 10),
(129, '11', 'CH', 124.6, 11),
(129, '12', 'CH', 122, 12),
(129, '13', 'C', 146, 13),
(129, '14', 'CH', 125, 14),
(129, '15', 'C', 72.3, 15),
(129, '16', 'CH3', 31.6, 16),
(129, '17', 'CH3', 31.6, 17),
(129, '19', 'CH3', 23, 19),
(129, '20', 'CH3', 24.5, 20),
(130, '1', 'CH2', 37.7, 1),
(130, '2', 'CH2', 20.5, 2),
(130, '3', 'CH2', 42.6, 3),
(130, '4', 'C', 71.8, 4),
(130, '5', 'CH', 46.3, 5),
(130, '6', 'CH2', 27.1, 6),
(130, '7', 'CH', 68.1, 7),
(130, '8', 'C', 135.9, 8),
(130, '9', 'C', 146.4, 9),
(130, '10', 'C', 38.7, 10),
(130, '11', 'CH', 124.7, 11),
(130, '12', 'CH', 126.6, 12),
(130, '13', 'C', 146.5, 13),
(130, '14', 'CH', 128.1, 14),
(130, '15', 'CH', 33.5, 15),
(130, '16', 'CH3', 23.9, 16),
(130, '17', 'CH3', 24, 17),
(130, '19', 'CH3', 22.5, 19),
(130, '20', 'CH3', 23.5, 20),
(131, '1', 'CH2', 37.5, 1),
(131, '2', 'CH2', 20.4, 2),
(131, '3', 'CH2', 42.6, 3),
(131, '4', 'C', 71.7, 4),
(131, '5', 'CH', 47.3, 5),
(131, '6', 'CH2', 25, 6),
(131, '7', 'CH', 70.3, 7),
(131, '8', 'C', 132.1, 8),
(131, '9', 'C', 147.2, 9),
(131, '10', 'C', 38.4, 10),
(131, '11', 'CH', 124.6, 11),
(131, '12', 'CH', 127.1, 12),
(131, '13', 'C', 146.6, 13),
(131, '14', 'CH', 128.4, 14),
(131, '15', 'CH', 33.5, 15),
(131, '16', 'CH3', 23.8, 16),
(131, '17', 'CH3', 24, 17),
(131, '19', 'CH3', 22.7, 19),
(131, '20', 'CH3', 23.5, 20),
(131, '7a', 'C', 170.8, 7001),
(131, '7b', 'CH3', 21.7, 7002),
(132, '1', 'CH2', 36.4, 1),
(132, '2', 'CH2', 19, 2),
(132, '3', 'CH2', 41, 3),
(132, '4', 'C', 33.3, 4),
(132, '5', 'CH', 49.7, 5),
(132, '6', 'CH2', 35.9, 6),
(132, '7', 'C', 206.8, 7),
(132, '8', 'C', 115.5, 8),
(132, '9', 'C', 136, 9),
(132, '10', 'C', 40.1, 10),
(132, '11', 'C', 144.1, 11),
(132, '12', 'CH', 123.9, 12),
(132, '13', 'C', 135.8, 13),
(132, '14', 'C', 155.6, 14),
(132, '15', 'CH', 25.9, 15),
(132, '16', 'CH3', 22, 16),
(132, '17', 'CH3', 22.2, 17),
(132, '18', 'CH3', 33, 18),
(132, '19', 'CH3', 21.5, 19),
(132, '20', 'CH3', 17.9, 20),
(133, '1', 'CH2', 42.1, 1),
(133, '2', 'CH2', 18.8, 2),
(133, '3', 'CH2', 40.6, 3),
(133, '4', 'C', 34.4, 4),
(133, '5', 'CH', 59.2, 5),
(133, '6', 'C', 166.8, 6),
(133, '7', 'C', 165.8, 7),
(133, '8', 'C', 119.5, 8),
(133, '9', 'C', 151, 9),
(133, '10', 'C', 40.8, 10),
(133, '11', 'CH', 114.3, 11),
(133, '12', 'C', 157.4, 12),
(133, '13', 'C', 133.7, 13),
(133, '14', 'CH', 132.1, 14),
(133, '15', 'CH', 26.7, 15),
(133, '16', 'CH3', 22, 16),
(133, '17', 'CH3', 22.2, 17),
(133, '18', 'CH3', 32.9, 18),
(133, '19', 'CH3', 22.3, 19),
(133, '20', 'CH3', 23, 20),
(134, '1', 'CH2', 38.8, 1),
(134, '2', 'CH2', 17.9, 2),
(134, '3', 'CH2', 33.3, 3),
(134, '4', 'C', 38, 4),
(134, '5', 'CH', 53.2, 5),
(134, '6', 'CH2', 22.8, 6),
(134, '7', 'CH2', 35.9, 7),
(134, '8', 'C', 136.3, 8),
(134, '9', 'CH', 49.9, 9),
(134, '10', 'C', 38.3, 10),
(134, '11', 'CH2', 18.8, 11),
(134, '12', 'CH2', 34.3, 12),
(134, '13', 'C', 37.3, 13),
(134, '14', 'CH', 129, 14),
(134, '15', 'CH', 148.9, 15),
(134, '16', 'CH2', 110.1, 16),
(134, '17', 'CH3', 25.9, 17),
(134, '18', 'CH2', 71.1, 18),
(134, '19', 'CH2', 62.2, 19),
(134, '20', 'CH3', 16, 20),
(134, '18a', 'C', 98.5, 18001),
(134, '18b', 'CH3', 26.4, 18002),
(134, '18ab', 'CH3', 21, 18102),
(135, '1', 'CH2', 36, 1),
(135, '2', 'CH2', 19.4, 2),
(135, '3', 'CH2', 37.5, 3),
(135, '4', 'C', 43.8, 4),
(135, '5', 'CH', 53.3, 5),
(135, '6', 'CH2', 20.7, 6),
(135, '7', 'CH2', 31.3, 7),
(135, '8', 'C', 126, 8),
(135, '9', 'C', 140.2, 9),
(135, '10', 'C', 38.7, 10),
(135, '11', 'CH2', 22.9, 11),
(135, '12', 'CH2', 24.9, 12),
(135, '13', 'C', 134.6, 13),
(135, '14', 'CH', 125.1, 14),
(135, '15', 'C', 142.5, 15),
(135, '16', 'CH2', 111, 16),
(135, '17', 'CH3', 20.3, 17),
(135, '18', 'CH3', 28.6, 18),
(135, '19', 'C', 183.9, 19),
(135, '20', 'CH3', 18.2, 20),
(136, '1', 'CH2', 35.4, 1),
(136, '2', 'CH2', 18.7, 2),
(136, '3', 'CH2', 34, 3),
(136, '4', 'C', 48.6, 4),
(136, '5', 'CH', 52.7, 5),
(136, '6', 'CH2', 18.8, 6),
(136, '7', 'CH2', 30.9, 7),
(136, '8', 'C', 125.6, 8),
(136, '9', 'C', 139.9, 9),
(136, '10', 'C', 38.2, 10),
(136, '11', 'CH2', 22.8, 11),
(136, '12', 'CH2', 24.8, 12),
(136, '13', 'C', 134.8, 13),
(136, '14', 'CH', 124.8, 14),
(136, '15', 'C', 142.5, 15),
(136, '16', 'CH2', 111.2, 16),
(136, '17', 'CH3', 20.3, 17),
(136, '18', 'CH3', 24, 18),
(136, '19', 'CH', 205.7, 19),
(136, '20', 'CH3', 19.5, 20),
(137, '1', 'CH2', 36.1, 1),
(137, '2', 'CH2', 19.5, 2),
(137, '3', 'CH2', 37.6, 3),
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(137, '5', 'CH', 53.5, 5),
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(137, '11', 'CH2', 23, 11),
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(138, '10', 'C', 40, 10),
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(153, '10', 'C', 40.61, 10),
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(158, '18a', 'C', 171.1, 18001),
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(175, '8', 'C', 23.9, 8),
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(176, '1', 'CH2', 36.6, 1),
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(176, '3', 'CH2', 41.3, 3),
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(176, '9', 'C', 151.9, 9),
(176, '10', 'C', 38.9, 10),
(176, '11', 'C', 187.5, 11),
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(176, '13', 'C', 157.1, 13),
(176, '14', 'C', 183.3, 14),
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(177, '8', 'C', 76, 8),
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(178, '3', 'CH2', 36, 3),
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(178, '8', 'C', 148, 8),
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(178, '10', 'C', 39.2, 10),
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(178, '18', 'CH2', 108, 18),
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(179, '2', 'CH2', 18.5, 2),
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(179, '4', 'C', 47.3, 4),
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(183, '9', 'C', 128.29, 9),
(183, '10', 'C', 138.04, 10),
(183, '11', 'C', 183.7, 11),
(183, '12', 'C', 177.39, 12),
(183, '13', 'C', 119.37, 13),
(183, '14', 'C', 169.1, 14),
(183, '15', 'CH', 34.69, 15),
(183, '16', 'CH2', 81.86, 16),
(183, '17', 'CH3', 18.84, 17),
(183, '18', 'CH3', 28.77, 18),
(183, '19', 'CH3', 28.77, 19),
(184, '1', 'C', 198.84, 1),
(184, '2', 'CH2', 36.15, 2),
(184, '3', 'CH2', 36.58, 3),
(184, '4', 'C', 34.93, 4),
(184, '5', 'C', 153.78, 5),
(184, '6', 'CH', 130.94, 6),
(184, '7', 'CH', 131.87, 7),
(184, '8', 'C', 132.82, 8),
(184, '9', 'C', 135.51, 9),
(184, '10', 'C', 138.03, 10),
(184, '11', 'C', 183.14, 11),
(184, '12', 'C', 183.76, 12),
(184, '13', 'C', 146.47, 13),
(184, '14', 'CH', 137.85, 14),
(184, '15', 'CH', 27, 15),
(184, '16', 'CH3', 21.56, 16),
(184, '17', 'CH3', 21.56, 17),
(184, '18', 'CH3', 28.83, 18),
(184, '19', 'CH3', 28.83, 19),
(185, '1', 'CH', 151.5, 1),
(185, '2', 'CH', 126.8, 2),
(185, '3', 'C', 201.1, 3),
(185, '4', 'C', 49, 4),
(185, '5', 'C', 167.6, 5),
(185, '6', 'CH', 124.3, 6),
(185, '7', 'C', 184, 7),
(185, '8', 'C', 123.1, 8),
(185, '9', 'C', 137.8, 9),
(185, '10', 'C', 42.7, 10),
(185, '11', 'C', 144.6, 11),
(185, '12', 'C', 152.9, 12),
(185, '13', 'C', 126.4, 13),
(185, '14', 'CH', 124.9, 14),
(185, '15', 'CH3', 15.7, 15),
(185, '18', 'CH3', 28.8, 18),
(185, '19', 'CH3', 28, 19),
(185, '20', 'CH3', 33.5, 20),
(185, '11a', 'CH3', 60.8, 11001),
(186, '1', 'CH2', 28.5, 1),
(186, '2', 'CH2', 33.1, 2),
(186, '3', 'C', 213.3, 3),
(186, '4', 'C', 49.6, 4),
(186, '5', 'C', 173, 5),
(186, '6', 'CH', 123.3, 6),
(186, '7', 'C', 184.3, 7),
(186, '8', 'C', 122.9, 8),
(186, '9', 'C', 140.1, 9),
(186, '10', 'C', 40.6, 10),
(186, '11', 'C', 145.1, 11),
(186, '12', 'C', 152.7, 12),
(186, '13', 'C', 125.8, 13),
(186, '14', 'CH', 124.8, 14),
(186, '15', 'CH3', 15.5, 15),
(186, '18', 'CH3', 29.7, 18),
(186, '19', 'CH3', 26.5, 19),
(186, '20', 'CH3', 22.4, 20),
(186, '11a', 'CH3', 60.7, 11001),
(187, '1', 'CH', 150.6, 1),
(187, '2', 'CH', 127.3, 2),
(187, '3', 'C', 202.6, 3),
(187, '4', 'C', 49.2, 4),
(187, '5', 'C', 148.4, 5),
(187, '6', 'C', 148.2, 6),
(187, '7', 'C', 180, 7),
(187, '8', 'C', 123.9, 8),
(187, '9', 'C', 137.1, 9),
(187, '10', 'C', 42.2, 10),
(187, '11', 'C', 144, 11),
(187, '12', 'C', 152.2, 12),
(187, '13', 'C', 126.1, 13),
(187, '14', 'CH', 125.1, 14),
(187, '15', 'CH3', 15.5, 15),
(187, '18', 'CH3', 28, 18),
(187, '19', 'CH3', 22.2, 19),
(187, '20', 'CH3', 34.1, 20),
(187, '6a', 'CH3', 59.6, 6001),
(187, '11a', 'CH3', 61, 11001),
(188, '1', 'CH2', 36.6, 1),
(188, '2', 'CH2', 34.3, 2),
(188, '3', 'C', 218.5, 3),
(188, '4', 'C', 47.3, 4),
(188, '5', 'CH', 52.1, 5),
(188, '6', 'CH2', 20.6, 6),
(188, '7', 'CH2', 31.5, 7),
(188, '8', 'C', 127.7, 8),
(188, '9', 'C', 137.1, 9),
(188, '10', 'C', 38.3, 10),
(188, '11', 'C', 146.4, 11),
(188, '12', 'C', 145.9, 12),
(188, '13', 'C', 123.7, 13),
(188, '14', 'CH', 126.6, 14),
(188, '15', 'CH3', 15.2, 15),
(188, '18', 'CH3', 28.2, 18),
(188, '19', 'CH3', 20.5, 19),
(188, '20', 'CH3', 22.2, 20),
(188, '11a', 'CH3', 60.7, 11001),
(189, '1', 'CH2', 38.87, 1),
(189, '2', 'CH2', 18.46, 2),
(189, '3', 'CH2', 31.92, 3),
(189, '4', 'C', 46.76, 4),
(189, '5', 'C', 83.66, 5),
(189, '6', 'CH', 70.62, 6),
(189, '7', 'CH', 138.37, 7),
(189, '8', 'C', 134.49, 8),
(189, '9', 'C', 123.73, 9),
(189, '10', 'C', 40.39, 10),
(189, '11', 'C', 144.42, 11),
(189, '12', 'C', 181.8, 12),
(189, '13', 'C', 142.24, 13),
(189, '14', 'CH', 134.6, 14),
(189, '15', 'CH', 26.98, 15),
(189, '16', 'CH3', 20.96, 16),
(189, '17', 'CH3', 21.58, 17),
(189, '18', 'CH3', 24.35, 18),
(189, '19', 'CH3', 24.44, 19),
(189, '20', 'CH3', 30.59, 20),
(189, '1''', 'CH2', 34.57, 101),
(189, '2''', 'CH2', 18.74, 102),
(189, '3''', 'CH2', 40.12, 103),
(189, '4''', 'C', 38.06, 104),
(189, '5''', 'C', 173.73, 105),
(189, '6''', 'CH', 123.92, 106),
(189, '7''', 'C', 185.47, 107),
(189, '8''', 'C', 122.94, 108),
(189, '9''', 'C', 139.47, 109),
(189, '10''', 'C', 42.09, 110),
(189, '11''', 'C', 138.41, 111),
(189, '12''', 'C', 148.16, 112),
(189, '13''', 'C', 135.02, 113),
(189, '14''', 'CH', 117.56, 114),
(189, '15''', 'CH', 27.63, 115),
(189, '16''', 'CH3', 21.53, 116),
(189, '17''', 'CH3', 22.31, 117),
(189, '18''', 'CH3', 29.74, 118),
(189, '19''', 'CH3', 33.3, 119),
(189, '20''', 'CH3', 25.25, 120),
(190, '1', 'CH2', 34.07, 1),
(190, '2', 'CH', 68.2, 2),
(190, '3', 'CH2', 42.4, 3),
(190, '4', 'C', 35.9, 4),
(190, '5', 'C', 142.1, 5),
(190, '6', 'C', 141, 6),
(190, '7', 'C', 182.7, 7),
(190, '8', 'C', 105.4, 8),
(190, '9', 'C', 133.5, 9),
(190, '10', 'C', 40.4, 10),
(190, '11', 'C', 135.8, 11),
(190, '12', 'C', 150.5, 12),
(190, '13', 'C', 109.8, 13),
(190, '14', 'C', 152.3, 14),
(190, '15', 'CH', 36.57, 15),
(190, '16', 'CH2', 61.3, 16),
(190, '17', 'CH2', 61.62, 17),
(190, '18', 'CH3', 28.5, 18),
(190, '19', 'CH3', 29.5, 19),
(190, '20', 'CH3', 24.69, 20),
(190, '2a', 'C', 170.7, 2001),
(190, '2b', 'CH3', 21, 2002),
(190, '17a', 'C', 173.8, 17001),
(190, '17b', 'CH3', 21.4, 17002),
(191, '1', 'CH2', 38.4, 1),
(191, '2', 'CH2', 18.6, 2),
(191, '3', 'CH2', 35.1, 3),
(191, '4', 'C', 37.8, 4),
(191, '5', 'CH', 43.9, 5),
(191, '6', 'CH2', 18.8, 6),
(191, '7', 'CH2', 30.1, 7),
(191, '8', 'C', 134.7, 8),
(191, '9', 'C', 147.3, 9),
(191, '10', 'C', 37.3, 10),
(191, '11', 'CH', 123.8, 11),
(191, '12', 'CH', 124.2, 12),
(191, '13', 'C', 145.4, 13),
(191, '14', 'CH', 126.8, 14),
(191, '15', 'CH', 33.4, 15),
(191, '16', 'CH3', 24, 16),
(191, '17', 'CH3', 24, 17),
(191, '18', 'CH2', 72.2, 18),
(191, '19', 'CH3', 17.4, 19),
(191, '20', 'CH3', 25.2, 20),
(192, '1', 'CH2', 47.5, 1),
(192, '2', 'CH', 65.5, 2),
(192, '3', 'CH2', 44.5, 3),
(192, '4', 'C', 39.2, 4),
(192, '5', 'CH', 42.8, 5),
(192, '6', 'CH2', 18.6, 6),
(192, '7', 'CH2', 30, 7),
(192, '8', 'C', 134.5, 8),
(192, '9', 'C', 147.4, 9),
(192, '10', 'C', 39.2, 10),
(192, '11', 'CH', 124, 11),
(192, '12', 'CH', 122, 12),
(192, '13', 'C', 146.2, 13),
(192, '14', 'CH', 124.9, 14),
(192, '15', 'C', 72.3, 15),
(192, '16', 'CH3', 31.6, 16),
(192, '17', 'CH3', 31.6, 17),
(192, '18', 'CH2', 71.5, 18),
(192, '19', 'CH3', 18.2, 19),
(192, '20', 'CH3', 26.1, 20),
(193, '1', 'CH2', 43.4, 1),
(193, '2', 'CH', 68.5, 2),
(193, '3', 'CH2', 40.6, 3),
(193, '4', 'C', 37.8, 4),
(193, '5', 'CH', 43.1, 5),
(193, '6', 'CH2', 18.2, 6),
(193, '7', 'CH2', 30, 7),
(193, '8', 'C', 134.3, 8),
(193, '9', 'C', 146.8, 9),
(193, '10', 'C', 38, 10),
(193, '11', 'CH', 123.9, 11),
(193, '12', 'CH', 122.1, 12),
(193, '13', 'C', 146.4, 13),
(193, '14', 'CH', 125, 14),
(193, '15', 'C', -9999, 15),
(193, '16', 'CH3', 31.6, 16),
(193, '17', 'CH3', 31.6, 17),
(193, '18', 'CH2', 71.6, 18),
(193, '19', 'CH3', 18.1, 19),
(193, '20', 'CH3', 25.9, 20),
(193, '2a', 'C', -9999, 2001),
(193, '2b', 'CH3', -9999, 2002),
(193, '18a', 'C', -9999, 18001),
(193, '18b', 'CH3', -9999, 18002),
(194, '1', 'CH2', 43.2, 1),
(194, '2', 'CH', 68.6, 2),
(194, '3', 'CH2', 40.6, 3),
(194, '4', 'C', 38.9, 4),
(194, '5', 'CH', 43.2, 5),
(194, '6', 'CH2', 18.5, 6),
(194, '7', 'CH2', 30, 7),
(194, '8', 'C', 134.3, 8),
(194, '9', 'C', 146.9, 9),
(194, '10', 'C', 37.8, 10),
(194, '11', 'CH', 124, 11),
(194, '12', 'CH', 121.9, 12),
(194, '13', 'C', 143.1, 13),
(194, '14', 'CH', 124.9, 14),
(194, '15', 'C', 81.4, 15),
(194, '16', 'CH3', 28.6, 16),
(194, '17', 'CH3', 28.6, 17),
(194, '18', 'CH2', 71.6, 18),
(194, '19', 'CH3', 18.2, 19),
(194, '20', 'CH3', 26.3, 20),
(194, '2a', 'C', -9999, 2001),
(194, '2b', 'CH3', -9999, 2002),
(194, '15a', 'C', -9999, 15001),
(194, '15b', 'CH3', -9999, 15002),
(194, '18a', 'C', -9999, 18001),
(194, '18b', 'CH3', -9999, 18002),
(195, '1', 'CH2', 47.5, 1),
(195, '2', 'CH', 65.4, 2),
(195, '3', 'CH2', 44.5, 3),
(195, '4', 'C', 39, 4),
(195, '5', 'CH', 42.8, 5),
(195, '6', 'CH2', 18.5, 6),
(195, '7', 'CH2', 29.9, 7),
(195, '8', 'C', 134.3, 8),
(195, '9', 'C', 147.3, 9),
(195, '10', 'C', 39, 10),
(195, '11', 'CH', 123.3, 11),
(195, '12', 'CH', 123.8, 12),
(195, '13', 'C', 142.8, 13),
(195, '14', 'CH', 126.2, 14),
(195, '15', 'C', -9999, 15),
(195, '16', 'CH3', 27.8, 16),
(195, '17', 'CH3', 27.8, 17),
(195, '18', 'CH2', 72, 18),
(195, '19', 'CH3', 18.3, 19),
(195, '20', 'CH3', 26.1, 20),
(195, '15a', 'CH3', -9999, 15001),
(196, '1', 'CH2', 54, 1),
(196, '2', 'C', 211.1, 2),
(196, '3', 'CH2', 49.9, 3),
(196, '4', 'C', 42, 4),
(196, '5', 'CH', 40.7, 5),
(196, '6', 'CH2', 30.2, 6),
(196, '7', 'CH', 70.5, 7),
(196, '8', 'C', 137.6, 8),
(196, '9', 'C', 144, 9),
(196, '10', 'C', 42.2, 10),
(196, '11', 'CH', 124.7, 11),
(196, '12', 'CH', 126.2, 12),
(196, '13', 'C', 147.1, 13),
(196, '14', 'CH', 124.9, 14),
(196, '15', 'CH', 33.6, 15),
(196, '16', 'CH3', 23.8, 16),
(196, '17', 'CH3', 23.9, 17),
(196, '18', 'CH2', 69.6, 18),
(196, '19', 'CH3', 19.1, 19),
(196, '20', 'CH3', 26.8, 20),
(197, '1', 'CH2', 53.9, 1),
(197, '2', 'C', 211.9, 2),
(197, '3', 'CH2', 50.1, 3),
(197, '4', 'C', 42.3, 4),
(197, '5', 'CH', 42.2, 5),
(197, '6', 'CH2', 19.1, 6),
(197, '7', 'CH2', 30.3, 7),
(197, '8', 'C', 134.9, 8),
(197, '9', 'C', 145.6, 9),
(197, '10', 'C', 42.5, 10),
(197, '11', 'CH', 124.5, 11),
(197, '12', 'CH', 122.4, 12),
(197, '13', 'C', 147.8, 13),
(197, '14', 'CH', 124.9, 14),
(197, '15', 'C', 72.3, 15),
(197, '16', 'CH3', 31.6, 16),
(197, '17', 'CH3', 31.6, 17),
(197, '18', 'CH2', 70.1, 18),
(197, '19', 'CH3', 17.6, 19),
(197, '20', 'CH3', 26.5, 20),
(198, '1', 'CH', 71.7, 1),
(198, '2', 'CH2', 25.7, 2),
(198, '3', 'CH2', 27.8, 3),
(198, '4', 'C', 37.5, 4),
(198, '5', 'CH', 37.4, 5),
(198, '6', 'CH2', 18.4, 6),
(198, '7', 'CH2', 30.6, 7),
(198, '8', 'C', 137.2, 8),
(198, '9', 'C', 146.2, 9),
(198, '10', 'C', 43.4, 10),
(198, '11', 'CH', 124.5, 11),
(198, '12', 'CH', 123.7, 12),
(198, '13', 'C', 142.1, 13),
(198, '14', 'CH', 127.9, 14),
(198, '15', 'CH', 33.5, 15),
(198, '16', 'CH3', 23.9, 16),
(198, '17', 'CH3', 23.9, 17),
(198, '18', 'CH2', 72, 18),
(198, '19', 'CH3', 17.5, 19),
(198, '20', 'CH3', 25.9, 20),
(199, '1', 'CH', 74.9, 1),
(199, '2', 'CH', 66.5, 2),
(199, '3', 'CH2', 37.3, 3),
(199, '4', 'C', 38.5, 4),
(199, '5', 'CH', 36.6, 5),
(199, '6', 'CH2', 18.2, 6),
(199, '7', 'CH2', 30.5, 7),
(199, '8', 'C', 136.6, 8),
(199, '9', 'C', 146.4, 9),
(199, '10', 'C', 44.2, 10),
(199, '11', 'CH', 124.6, 11),
(199, '12', 'CH', 123.6, 12),
(199, '13', 'C', 141.7, 13),
(199, '14', 'CH', 127.9, 14),
(199, '15', 'CH', 33.5, 15),
(199, '16', 'CH3', 23.8, 16),
(199, '17', 'CH3', 23.8, 17),
(199, '18', 'CH2', 71.6, 18),
(199, '19', 'CH3', 18.2, 19),
(199, '20', 'CH3', 25.1, 20),
(200, '1', 'CH', 76, 1),
(200, '2', 'CH', 67.6, 2),
(200, '3', 'CH2', 37.8, 3),
(200, '4', 'C', 39.6, 4),
(200, '5', 'CH', 38.3, 5),
(200, '6', 'CH2', 19.7, 6),
(200, '7', 'CH2', 31.6, 7),
(200, '8', 'C', 137.2, 8),
(200, '9', 'C', 146.8, 9),
(200, '10', 'C', 45.2, 10),
(200, '11', 'CH', 126.6, 11),
(200, '12', 'CH', 124.9, 12),
(200, '13', 'C', 144.3, 13),
(200, '14', 'CH', 128.1, 14),
(200, '15', 'CH', 34.9, 15),
(200, '16', 'CH3', 24.5, 16),
(200, '17', 'CH3', 24.5, 17),
(200, '18', 'CH2', 72.3, 18),
(200, '19', 'CH3', 18.7, 19),
(200, '20', 'CH3', 28.3, 20);