HMDB0013713 RDKit 3D N-Acetyltryptophan 32 33 0 0 0 0 0 0 0 0999 V2000 5.1417 0.6109 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 -0.1951 0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9698 -1.4232 0.8167 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 0.4154 0.1395 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -0.3341 0.0587 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5504 0.2832 1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8003 -0.2251 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 -1.1713 2.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6082 -1.3410 1.8847 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0016 -0.5473 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2141 -0.3409 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3813 0.5625 -0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 1.2652 -1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0853 1.0535 -0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 0.1503 0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9859 -0.3292 -1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 0.3449 -2.1905 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1113 -1.0338 -1.8064 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 1.5490 1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4908 0.8792 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 0.0581 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 1.4139 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6665 -1.3990 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.3930 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 0.1239 2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 -1.6535 2.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2758 -1.9951 2.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 -0.8887 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3251 0.7309 -1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3155 2.0032 -1.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 1.6166 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0308 -1.5766 -2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 5 16 1 0 16 17 2 0 16 18 1 0 15 7 1 0 15 10 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 5 23 1 1 6 24 1 0 6 25 1 0 8 26 1 0 9 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 18 32 1 0 M END