HMDB0015150 RDKit 3D Sulfamethoxazole 28 29 0 0 0 0 0 0 0 0999 V2000 -3.6276 -1.0709 1.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2677 0.1150 0.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 0.0644 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1596 1.3111 -0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3148 1.7759 -1.6104 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.7930 -2.3659 S 0 0 0 0 0 6 0 0 0 0 0 0 0.5261 1.5725 -3.4736 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8773 -0.3779 -2.9959 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0998 0.2227 -1.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1177 -1.0454 -0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -1.4711 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1271 -0.6222 0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1436 -1.0589 1.3914 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1091 0.6525 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 1.0786 -0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1137 2.0509 0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7159 1.3178 0.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3454 -2.0149 1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2514 -1.0162 2.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -1.0758 1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 -0.7831 -0.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 2.7844 -1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 -1.7601 -1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -2.4716 0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5761 -0.3226 1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4556 -2.0457 1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 1.3101 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 2.0873 -1.2751 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 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 4 16 2 0 16 17 1 0 17 2 1 0 15 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 5 22 1 0 10 23 1 0 11 24 1 0 13 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 M END