HMDB0255657 RDKit 3D Nitroquine 36 38 0 0 0 0 0 0 0 0999 V2000 5.8836 1.8643 -0.6183 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6725 1.1640 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4574 0.5335 0.8064 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.1422 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -0.8020 2.2991 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3443 -0.2049 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1982 -0.9049 0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2078 -0.9765 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9199 -1.7530 -0.2407 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 -1.4033 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8197 -0.3167 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4826 0.9052 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4411 1.8914 -0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7804 1.6615 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9832 2.9173 -0.2946 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1406 0.4325 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8322 0.0944 0.8919 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1825 -0.5112 0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1021 -3.0070 -0.9042 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1392 -3.2337 -1.5819 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4041 -0.3470 -1.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5519 0.3621 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.4343 -1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6933 1.0886 -1.2968 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8711 2.9001 -0.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7726 1.3484 -0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 -0.7478 2.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 -1.4089 2.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 -1.3859 1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 -2.3341 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3152 -1.1310 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 1.1610 -0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1716 2.8575 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4837 -1.4681 1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 -0.4061 -2.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.8683 -3.0168 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 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 9 19 1 0 19 20 2 0 8 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 2 1 0 23 6 1 0 18 11 1 0 1 25 1 0 1 26 1 0 5 27 1 0 5 28 1 0 7 29 1 0 10 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 18 34 1 0 21 35 1 0 22 36 1 0 M END