HMDB0249575 RDKit 3D Camostat 51 52 0 0 0 0 0 0 0 0999 V2000 -8.4942 -1.5901 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5091 -1.4664 -0.8508 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4756 -2.4240 -1.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5798 -0.4087 -0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6967 -0.2441 -1.6901 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6323 0.5603 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6511 1.5546 0.2137 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2923 1.3169 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8745 0.1526 0.2673 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3447 2.4440 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 1.9079 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2566 1.7251 1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0286 1.2267 1.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 0.8817 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9742 0.3827 0.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 1.2391 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8563 2.4719 -0.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 0.7650 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4745 1.6623 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8091 1.2458 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 -0.0934 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4416 -0.5800 0.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7108 -1.9684 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1797 -2.6439 -0.6262 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4609 -2.6383 1.5863 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 -0.9993 0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7527 -0.5733 0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0231 1.0631 -1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3066 1.5607 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0199 -2.5758 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9834 -1.4713 1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2187 -0.7532 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0718 -3.4036 -1.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5191 -2.6424 -2.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8823 -2.0928 -2.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6365 0.0610 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6286 1.0828 0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 3.0097 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4779 3.1787 0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7284 1.9828 2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 1.0798 2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3124 2.7437 -0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6329 1.9321 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2550 0.0646 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3606 -2.1449 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7222 -3.3578 1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 -2.3953 2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2425 -2.0577 0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 -1.2732 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 0.8024 -1.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 1.6999 -2.0085 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 4 5 2 0 4 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 3 23 25 1 0 21 26 1 0 26 27 2 0 14 28 1 0 28 29 2 0 29 11 1 0 27 18 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 6 36 1 0 6 37 1 0 10 38 1 0 10 39 1 0 12 40 1 0 13 41 1 0 19 42 1 0 20 43 1 0 22 44 1 0 24 45 1 0 25 46 1 0 25 47 1 0 26 48 1 0 27 49 1 0 28 50 1 0 29 51 1 0 M END