HMDB0001508 RDKit 3D dADP 41 43 0 0 0 0 0 0 0 0999 V2000 -6.8556 1.1110 -0.1848 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5892 0.4437 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5629 -0.8846 -0.3317 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3546 -1.5527 -0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2462 -0.8203 -0.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2081 0.5043 -0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4451 1.1689 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0956 2.4799 -0.4996 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7626 2.6167 -0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2067 1.4363 -0.4956 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8118 1.0625 -0.1551 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0808 0.4708 1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4829 -0.9130 1.1823 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0814 -1.3178 2.4081 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5177 -0.5911 0.1221 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5614 -1.5659 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 -0.7602 -0.8874 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9642 -0.8980 0.0115 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9529 0.4696 0.8779 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9229 -2.1180 1.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 -0.7332 -0.8977 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 0.2823 -0.0831 P 0 0 0 0 0 5 0 0 0 0 0 0 7.8467 -0.1989 -0.4004 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 0.2208 1.6029 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3135 1.8858 -0.5833 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2156 0.0639 -0.8239 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7466 0.6366 -0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8351 2.1367 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3865 -2.6265 -0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1983 3.5619 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2344 1.9529 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5996 1.0790 2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2164 0.4047 1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.6864 0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2533 -2.2382 2.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1311 0.2952 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -2.0392 0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -2.3471 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3843 -2.9234 0.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6165 -0.5446 1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 2.4756 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 18 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 15 26 1 0 7 2 1 0 26 11 1 0 10 6 1 0 1 27 1 0 1 28 1 0 4 29 1 0 9 30 1 0 11 31 1 1 12 32 1 0 12 33 1 0 13 34 1 6 14 35 1 0 15 36 1 1 16 37 1 0 16 38 1 0 20 39 1 0 24 40 1 0 25 41 1 0 M END