HMDB0061850 RDKit 3D alpha-Bourbonene 39 41 0 0 0 0 0 0 0 0999 V2000 -1.7560 -2.8924 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 -1.4341 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -0.9244 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9786 0.5415 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8254 0.9459 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0503 -0.3435 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1156 0.1363 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3033 0.1957 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 -0.5317 0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6578 -0.4529 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -1.9989 0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6758 1.6549 -0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3483 2.2529 -0.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 1.5308 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 2.2643 1.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1527 -3.3457 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7287 -3.4258 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 -3.0662 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 -1.4995 0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 0.8554 1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9346 0.9373 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 1.4560 -1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5476 -0.4232 -1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3388 -0.3555 1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3979 -0.2471 -1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1024 -0.1731 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6358 -0.4834 -0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1959 0.4282 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -1.3840 0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9675 -2.1179 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6608 -2.6521 0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5111 -2.2388 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9881 2.1096 0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4092 1.8264 -1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 3.3406 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 2.0187 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1995 1.6270 2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0034 2.8320 0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2883 3.0368 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 8 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 6 2 1 0 14 7 1 0 14 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END