HMDB0061529 RDKit 3D PE(MonoMe(11,5)/DiMe(9,5)) 138139 0 0 0 0 0 0 0 0999 V2000 5.5053 -12.1778 -1.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -10.7744 -2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5624 -9.7595 -1.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3984 -8.3440 -1.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6286 -7.3232 -0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4567 -5.9303 -1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6406 -4.8464 -0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3957 -3.7272 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 -2.3113 -0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0722 -4.1802 -2.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -3.2652 -3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3217 -2.7696 -3.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 -1.7923 -4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -1.4206 -4.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8993 -0.4065 -5.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5559 -0.1408 -4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4455 -1.3264 -5.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8646 -1.0734 -4.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4508 0.0468 -5.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9107 0.2921 -5.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0179 0.5609 -3.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0614 -0.5026 -2.8444 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0701 1.8046 -2.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1582 1.7493 -1.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1834 3.0112 -0.7972 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0613 3.9663 -1.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 3.5408 -0.7941 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7551 4.8157 -1.2642 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5910 5.7081 -0.0392 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5045 5.7750 -2.4568 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2542 4.2568 -1.7174 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 4.4865 -3.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 3.9396 -3.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 4.6730 -2.4806 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2225 2.7467 0.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1366 3.1856 1.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0571 3.9318 1.0842 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0458 2.7856 2.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9776 3.4546 3.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8549 4.9062 4.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5973 5.5067 4.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9577 5.1309 5.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4676 3.7240 5.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 3.5429 7.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 2.1983 7.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2546 1.7789 6.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9472 2.0008 6.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2588 1.5565 5.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 1.6468 5.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 2.7420 4.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 2.9419 4.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 3.3484 5.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1902 4.6312 6.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1407 0.9916 4.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8607 0.3422 3.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 1.1310 5.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 0.6092 4.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -5.4686 -2.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2105 -12.2070 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7449 -12.9046 -2.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 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50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 53132 1 0 55133 1 0 55134 1 0 55135 1 0 57136 1 0 57137 1 0 57138 1 0 M END