HMDB0061573 RDKit 3D PS(DiMe(13,5)/DiMe(9,3)) 144145 0 0 0 0 0 0 0 0999 V2000 16.1015 -1.0700 -0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2759 0.1186 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8519 -0.1944 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1185 -0.8327 -1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6720 -1.1178 -0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9730 0.1664 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6561 0.6173 0.8382 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0489 1.7888 0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5443 2.6178 1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0613 2.5636 2.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4947 1.1956 2.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9635 1.4380 2.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 0.1926 2.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 0.2283 2.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 1.1285 3.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1288 2.5534 3.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4553 2.8370 1.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9713 2.5975 2.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 2.8302 0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5676 1.8540 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1932 0.4626 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9279 -0.2711 0.8576 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 -0.0617 -0.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4464 -1.3542 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8513 -1.5759 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7787 -1.4487 -1.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 -2.4294 -2.4215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9685 -2.2504 -4.1001 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5344 -2.0018 -4.5184 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8771 -0.8922 -4.5029 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -3.6539 -4.7909 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 -4.6621 -3.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3039 -5.8724 -4.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5741 -5.6258 -5.2119 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3527 -7.0451 -3.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3184 -7.3925 -3.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5325 -7.7439 -3.5692 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4098 -2.7818 0.0857 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6685 -2.7109 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1149 -1.5828 0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2713 -3.9405 1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5889 -3.8551 1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8045 -3.1234 3.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7319 -1.7160 3.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6072 -0.6880 2.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8474 -0.2242 1.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4017 -1.1007 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5701 -0.2254 -0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4617 0.9193 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9925 2.1562 -0.3171 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9701 2.9654 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8225 4.4510 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3250 5.1634 -1.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5095 4.7074 -2.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1412 2.2497 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5054 2.7430 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8006 0.9234 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7334 -0.2109 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9708 2.1120 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3778 3.3282 -1.2071 C 0 0 0 0 0 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