HMDB0015055 RDKit 3D Spectinomycin 47 49 0 0 0 0 0 0 0 0999 V2000 -1.5121 3.6656 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9108 2.3745 -0.4155 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 1.3133 0.5572 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8541 0.4844 0.8323 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8349 0.8051 -0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 -0.9936 0.8806 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8689 -1.6096 0.2847 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6094 -2.9536 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4495 -1.5484 0.2278 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2294 -2.8332 0.7109 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -0.7095 0.7537 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9201 -1.2995 0.6079 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -0.7214 -0.2166 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0732 -1.1142 0.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1634 -0.4616 -0.2221 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4328 -1.0962 0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0962 0.9491 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9308 1.5374 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0825 2.6249 -0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 0.7309 -0.4456 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2076 0.9667 -1.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 1.3177 0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 0.6211 0.0787 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6463 3.5723 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2095 4.2798 -0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 4.1505 0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9175 2.3763 -0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3427 1.8749 1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2803 0.8090 1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5174 1.4253 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 -1.3512 1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6591 -1.6576 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8523 -2.9591 -0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4082 -3.6665 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5561 -3.3024 -0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -1.4864 -0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2741 -2.9876 0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4821 -0.5512 1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 -1.2385 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 -0.3843 -1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2646 -1.0029 -0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8546 -0.6431 1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2843 -2.1804 0.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 1.5144 0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7897 0.7986 1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 0.1228 -2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4641 0.4374 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 6 20 22 1 0 22 23 1 0 23 3 1 0 23 11 1 0 20 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 1 4 29 1 1 5 30 1 0 6 31 1 1 7 32 1 0 8 33 1 0 8 34 1 0 8 35 1 0 9 36 1 6 10 37 1 0 11 38 1 1 13 39 1 6 15 40 1 6 16 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 21 46 1 0 23 47 1 6 M END