HMDB0061622 RDKit 3D PS(MonoMe(13,5)/MonoMe(13,5)) 156157 0 0 0 0 0 0 0 0999 V2000 -5.9273 9.8389 3.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4968 10.3142 3.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5474 9.3672 3.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8074 7.9918 3.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9301 6.9579 3.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 5.6013 3.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4369 5.0736 2.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9288 3.8189 1.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 2.8713 0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9582 3.6199 2.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7364 2.3429 2.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6542 2.3389 1.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4634 1.1029 1.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4168 0.8587 2.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1315 -0.4972 2.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1525 -1.6092 2.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6493 -2.9791 2.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0958 -3.0069 0.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9604 -2.5195 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6848 -3.2727 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7798 -4.6857 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4793 -5.4582 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4018 -4.8469 -1.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4791 -3.7653 -1.7968 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1335 -5.4763 -1.2822 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1291 -4.7957 -2.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 -5.5394 -2.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0439 -4.6232 -3.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3478 -3.4664 -2.3459 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 -2.4401 -3.2660 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3150 -1.6793 -2.4228 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 -3.3951 -4.4274 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3766 -1.3377 -4.1277 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8261 -1.2462 -5.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0801 -0.2929 -6.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6959 -0.3358 -7.6246 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -0.5583 -6.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9025 -0.7704 -7.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 -0.5704 -5.2137 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7979 -5.9486 -1.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1483 -7.2701 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 -8.0408 -1.8495 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8244 -7.9386 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8928 -7.3306 1.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5651 -5.9685 1.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 -5.5467 2.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 -4.2252 3.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -3.0196 2.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2705 -1.7368 3.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 -1.7067 2.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4497 -0.4848 2.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6195 -0.6062 1.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7827 0.2404 2.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8338 1.6892 1.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2534 2.4374 0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 2.6502 -0.3055 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0066 3.3491 -1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 3.8201 -2.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5492 2.8127 -3.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7346 3.2884 -4.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 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