vintafolide CDK 0223171731 null 138149 0 0 0 0 0 0 0 0999 V2000 55.9965 45.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.7110 46.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.2821 46.1702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 54.5676 46.5857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 53.8552 46.1702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 52.4305 46.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.4305 45.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1429 44.9234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 53.8552 45.3390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 54.5676 44.9234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 55.2821 45.3390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 55.9965 44.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 54.5676 44.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.2821 43.6869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 55.9986 44.0984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 56.7130 43.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.4275 44.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 58.1419 43.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.8564 44.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.5708 43.6869 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 60.2853 44.0984 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 60.9997 43.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 61.7141 44.0984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 62.4286 43.6869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 63.1430 44.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.8575 43.6869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 64.5719 44.0984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 65.2864 43.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 66.0008 44.0984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 66.7153 43.6869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 67.4318 44.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 68.1462 43.6869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 68.8607 44.0984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 69.5751 43.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 70.2896 44.0984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 71.0040 43.6869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 71.7185 44.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72.4329 43.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 73.1473 44.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 73.8618 43.6869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 74.5762 44.0984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 75.2907 43.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 75.2907 42.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 76.0051 44.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 76.0051 44.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 76.7216 45.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 77.4340 44.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 77.4340 44.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 76.7216 43.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 78.1487 45.3369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 78.8631 44.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 79.5794 45.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 80.2920 44.9192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 81.0044 45.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 81.0044 46.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 80.2920 46.5837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 79.5794 46.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 81.7168 46.5837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 82.4292 46.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 82.4292 45.3369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 81.7168 44.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 81.7168 44.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 83.1436 46.5795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 73.8618 42.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 74.5762 42.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 73.1473 42.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 71.7185 44.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 70.2896 44.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 69.5751 45.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 68.8526 44.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 69.5751 46.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 69.5751 42.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 68.1462 42.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 68.8607 41.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 69.5751 42.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 70.2896 41.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 71.0040 42.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.0040 43.0135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 71.7185 41.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 67.4318 44.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 66.0008 44.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.2864 45.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.5657 44.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 65.2864 46.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 65.2864 42.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 63.8575 42.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.1348 42.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.4203 42.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 63.1348 41.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 63.1430 44.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 61.7141 44.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.4286 45.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.9997 45.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.7130 42.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.8532 43.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.2821 44.5119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.1429 44.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.7181 44.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0057 45.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0057 46.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.7181 46.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0057 47.8938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 49.8101 47.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0956 47.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.3812 47.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.8101 46.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50.2931 48.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2931 49.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.8663 49.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.8663 48.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5787 47.8938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 48.1539 47.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.4415 48.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.4415 49.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1539 49.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0057 49.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.7181 49.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3711 49.6440 0.0000 N 0 0 2 0 0 0 0 0 0 0 0 0 52.7559 48.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3403 47.8323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 51.7181 48.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0835 47.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.4991 48.6656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 53.1736 49.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.2135 49.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.9300 48.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.0722 48.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.1417 47.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.2913 44.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.5766 45.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1429 46.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1429 47.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.5676 47.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 55.2821 47.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.9945 47.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.9945 46.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8532 46.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 54.5697 45.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 1 6 0 0 0 4 3 1 0 0 0 0 11 3 1 0 0 0 0 3136 1 0 0 0 0 5 4 1 0 0 0 0 4133 1 0 0 0 0 4137 1 6 0 0 0 5 6 1 0 0 0 0 9 5 1 0 0 0 0 5131 1 1 0 0 0 6 7 1 0 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