HMDB0001240 RDKit 3D Pseudooxynicotine 27 27 0 0 0 0 0 0 0 0999 V2000 -3.7852 0.6412 -0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5571 0.7500 -1.2073 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0354 -0.5117 -1.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5712 -1.4071 -0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4893 -0.8628 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7351 -0.5936 -0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7538 -0.8974 -1.7053 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 0.0241 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0726 0.2824 -0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 0.8626 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1217 1.1991 1.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9724 0.9279 2.0908 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 0.3655 1.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 -0.1323 -0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 0.4301 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2943 1.6496 -0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8406 1.3372 -0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9243 -1.0388 -2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 -0.2943 -2.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4817 -1.7044 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -2.3723 -1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8492 0.0570 0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 -1.6197 1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0843 0.0153 -1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0632 1.0654 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9678 1.6523 1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0136 0.1746 2.0665 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 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 13 27 1 0 M END