HMDB0035654 RDKit 3D Phytal 59 58 0 0 0 0 0 0 0 0999 V2000 -6.2756 -1.4429 0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5663 -0.2124 0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9419 0.9904 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0935 1.1344 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5024 2.2693 -0.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -0.3969 1.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3178 -1.2320 1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 -0.8809 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 0.2959 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 1.6004 0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1165 0.4216 -1.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3344 -0.7975 -1.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7782 -1.0448 -0.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7163 0.1698 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2059 0.2778 -2.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8062 -0.0097 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 1.1534 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8279 1.0047 1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6782 -0.2186 1.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3258 -0.1001 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7952 -0.3229 2.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0247 -1.7317 -0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3645 -1.2456 0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0327 -2.2924 1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4429 1.8887 0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6577 0.2874 -0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8184 -0.9667 2.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1175 0.5907 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8151 -2.2471 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6161 -1.5655 2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3185 -0.8462 -0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 -1.8363 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7854 0.2176 0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 2.4390 -0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 1.6703 -0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 1.8500 1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5601 1.3693 -1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9729 0.5770 -2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0896 -0.6281 -2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 -1.7198 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4291 -1.2779 0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3705 -1.9304 -1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1309 1.0597 -0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 0.9591 -2.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2034 0.7087 -2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -0.7093 -2.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2985 -0.9822 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2587 -0.0211 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 1.3685 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1903 2.1003 0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 1.8951 1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 0.9636 2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 -1.1586 1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6213 0.9361 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1552 -0.8324 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5192 -0.3706 -1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1339 -1.3944 2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7123 0.2341 1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4848 -0.0180 3.0457 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 2 0 2 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 21 59 1 0 M END