HMDB0034780 RDKit 3D Capsiate 48 48 0 0 0 0 0 0 0 0999 V2000 -8.0199 -1.1275 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5829 0.0596 -0.2246 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2073 0.3055 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3131 -0.5898 -0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9639 -0.2940 -0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9522 -1.2044 -1.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6339 -0.9266 -0.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 -0.9448 0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0113 -1.2284 1.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2126 -0.6440 0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -0.3414 -0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 -0.0121 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1145 -1.1684 0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -0.9051 0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1703 0.2173 0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 0.4534 0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7548 1.7059 1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2825 0.7132 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5421 0.8660 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4576 1.7418 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7875 1.4832 0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7553 2.3556 0.9978 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6893 -2.0334 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5817 -1.2170 -1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 -1.1039 -0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6349 -1.5104 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2726 -2.2449 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9641 -1.1522 -2.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -1.5624 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2911 0.2259 1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8274 -1.1554 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 0.5985 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 0.1469 -1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4641 0.9150 0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -2.0797 -0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6357 -1.3990 1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1193 -1.6882 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 1.0113 0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0786 -0.3933 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8152 1.7636 1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1095 1.6866 2.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 2.6134 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 0.8000 -1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8814 -0.2089 -0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9466 1.6052 -0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4842 1.0900 0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1078 2.6366 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7379 2.1404 0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 5 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 3 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 6 27 1 0 6 28 1 0 10 29 1 0 10 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 14 37 1 0 15 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 18 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 22 48 1 0 M END