HMDB0015412 RDKit 3D Sulfacytine 34 35 0 0 0 0 0 0 0 0999 V2000 5.0385 -0.7014 1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8059 -0.0064 1.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8139 0.2171 0.7205 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8514 1.3770 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 1.6516 -0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9078 0.7367 -1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0315 1.0430 -2.2671 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 -0.0523 -2.6472 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.7264 -1.3660 -3.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 0.5088 -3.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3212 -0.3166 -1.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -1.3677 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -1.5427 0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0188 -0.7016 0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8795 -0.8960 2.0697 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2237 0.3485 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3911 0.5337 -1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9117 -0.3808 -0.5407 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 -0.6262 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7726 -1.7097 1.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8689 -1.7454 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5192 -0.0881 0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7707 -0.7240 2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1281 0.9787 2.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4204 -0.5742 2.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6274 2.0870 0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 2.5819 -1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 1.9543 -2.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2965 -2.0667 -0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8138 -2.3701 1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7728 -1.4313 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6676 -0.5385 3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 1.0241 0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5393 1.3534 -1.6999 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 2 0 8 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 2 0 6 18 2 0 18 19 1 0 19 20 2 0 19 3 1 0 17 11 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 4 26 1 0 5 27 1 0 7 28 1 0 12 29 1 0 13 30 1 0 15 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 M END