HMDB0015651 RDKit 3D Isometheptene 29 28 0 0 0 0 0 0 0 0999 V2000 3.3533 0.3158 1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 -0.5931 0.7864 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -0.1266 -0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 0.1023 -1.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4679 -0.9600 -0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 -1.1465 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 0.1621 0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4506 0.4043 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3722 -0.5982 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9904 1.7216 0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3141 -0.2082 1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0297 0.6975 2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 1.1909 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8176 -0.9512 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2187 0.8946 -0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2832 0.8578 -1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8453 0.5269 -2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 -0.8602 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0237 -0.4689 -1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8503 -1.9305 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3521 -1.8274 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2361 -1.6324 1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4935 0.8934 1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4427 -0.2960 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 -0.7521 -1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2835 -1.6055 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2855 2.2151 1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1009 2.3213 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9989 1.6529 1.4158 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 10 29 1 0 M END