HMDB0255201 RDKit 3D N-Nitrosocimetidine 34 34 0 0 0 0 0 0 0 0999 V2000 5.1071 1.3435 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 0.0771 -0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9614 -1.1306 -0.3182 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 -2.0415 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8278 -1.3673 -0.6101 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 -0.0874 -0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 1.1554 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9999 1.5333 0.6049 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 0.8573 0.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9497 -0.2565 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0778 -0.9234 0.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3027 -0.7953 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0116 -2.0065 1.0166 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1871 -3.0868 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3121 -3.9697 -0.5819 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1228 0.2658 0.1494 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9521 1.3869 -0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4511 0.3003 0.8149 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5518 0.4606 2.0204 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6755 1.7882 -0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2935 2.0776 0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 1.2067 1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0089 -1.3920 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1553 -3.1149 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7325 0.9762 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8817 2.0548 -0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 0.5112 1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 1.7228 0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 0.2090 -1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 -0.8766 -0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2979 -1.9315 1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8857 1.3424 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0273 2.3601 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 1.3509 -1.3609 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 1 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 13 14 1 0 14 15 3 0 12 16 1 0 16 17 1 0 16 18 1 0 18 19 2 0 6 2 2 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 4 24 1 0 7 25 1 0 7 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 13 31 1 0 17 32 1 0 17 33 1 0 17 34 1 0 M END