HMDB0041201 RDKit 3D Panaquinquecol 7 44 44 0 0 0 0 0 0 0 0999 V2000 6.0201 2.2426 0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9762 1.0006 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5672 0.3623 0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4954 -0.8730 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2429 -1.6377 -0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0518 -1.0523 -1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 0.1732 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 0.0523 0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8239 -0.3235 1.7351 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6814 -1.1385 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 -1.0657 2.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -0.7219 1.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7003 -0.4563 1.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9124 -0.1679 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9534 0.0620 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1715 0.3222 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0882 0.4855 -2.0074 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4894 0.3947 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6097 0.6768 -1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8093 0.7375 -0.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8925 2.8580 0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1241 2.8534 0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 1.9937 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0964 1.2511 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7527 0.2741 0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8261 1.1077 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5022 0.0335 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 -1.5416 -0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7709 -0.5386 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 -2.6548 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0337 -2.0144 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1926 -0.8798 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 -1.8476 -1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 0.3907 -1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 1.0900 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 0.9814 1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9243 -2.1470 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4832 -2.0374 3.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1795 -0.2379 3.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6691 -0.6062 0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4524 1.1156 0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6752 -0.1809 -1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4363 1.5795 -1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7658 0.0844 0.4522 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 3 0 13 14 1 0 14 15 3 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 10 8 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 M END