HMDB0061631 RDKit 3D PS(MonoMe(9,5)/MonoMe(13,5)) 144145 0 0 0 0 0 0 0 0999 V2000 -15.0959 1.4386 3.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2349 1.1398 1.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0198 1.6653 0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5412 1.5068 -0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2800 2.0720 -1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0081 1.6164 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2168 2.1397 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1431 1.3057 0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0251 1.4631 1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2882 0.2917 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4146 -0.8874 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1638 -0.4523 -1.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6861 0.1757 -2.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8105 0.6460 -3.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7779 1.6554 -3.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6470 1.2846 -2.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0411 0.0150 -2.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9167 -0.5595 -2.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0249 -0.9916 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 0.0180 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2592 -0.6383 1.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0023 -1.3881 1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8092 -0.5368 1.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8002 0.7226 1.7968 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 -1.1467 1.6696 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6394 -0.5620 1.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0483 -0.9265 0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2782 -0.4528 -0.2861 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 0.8615 -0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9241 1.7815 -0.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1263 1.0809 -0.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9877 1.1033 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4461 1.2356 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0367 2.4366 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7186 2.8546 -1.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8794 2.0205 -2.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0886 1.4620 -3.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9820 0.4823 -2.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6949 0.8182 -1.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5309 0.3760 -0.3637 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3751 0.9057 0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4787 0.6365 1.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3926 -0.5047 2.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8018 -0.3409 1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5030 0.8326 2.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9326 0.9052 1.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1895 1.7824 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7610 1.7272 -1.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3195 2.4833 -2.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7481 -1.1113 2.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9224 -2.4854 2.0772 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1411 -3.1678 2.9801 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5892 -3.7906 4.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3518 -2.1030 3.4194 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 -4.4713 2.0554 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 -4.9043 1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1445 -6.0449 0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2514 -5.7469 -0.5494 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4475 -7.2411 1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5766 -7.6414 1.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 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