HMDB0253111 RDKit 3D Hercynine 29 29 0 0 0 0 0 0 0 0999 V2000 -2.4332 0.1579 1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 -0.0488 -0.0927 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.7939 1.1046 -0.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1133 -1.2207 -0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2106 -0.2021 0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6823 0.4396 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1221 0.3814 -0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0297 -0.5306 -0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 -0.2118 -0.3586 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 0.8673 0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8336 1.2064 0.3749 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 -1.6059 0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3193 -2.1491 1.6055 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8854 -2.3990 -0.2815 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4448 0.4268 0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0306 1.0381 1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4798 -0.7449 1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5209 2.0124 -0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8876 1.1802 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3039 1.0244 -1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6144 -2.1543 -0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2066 -1.3780 -0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0662 -1.0991 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0991 0.4176 1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4338 -0.0261 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3986 1.5254 -0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9244 -1.3717 -1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9168 1.3530 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3983 2.0070 0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 5 12 1 0 12 13 2 0 12 14 1 0 11 7 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 10 28 1 0 11 29 1 0 M CHG 2 2 1 14 -1 M END