HMDB0006117 RDKit 3D APGPR Enterostatin 71 72 0 0 0 0 0 0 0 0999 V2000 -2.8536 2.3327 2.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0872 2.2138 1.4678 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8984 3.5569 0.9049 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4300 1.6872 1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2336 2.5505 0.6415 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 0.3857 1.2988 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2031 -0.1149 0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3887 -1.3901 1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -1.6131 2.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -0.7448 1.8056 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3442 -1.4093 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0809 -0.7155 -0.3068 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9182 -2.7493 0.7721 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 -3.3737 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 -2.7434 -0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5401 -1.7949 0.2855 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0517 -3.1430 -1.5038 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 -4.1430 -2.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -3.4004 -3.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2561 -2.3158 -3.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -2.7715 -1.7796 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0078 -1.8110 -0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9177 -2.3033 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -0.4560 -0.7492 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 0.3846 0.2259 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4719 1.2530 -0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2594 2.1342 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 2.9867 -0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1771 2.1512 -1.1536 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0344 2.6914 -1.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 1.8758 -2.6795 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0489 4.0997 -2.0897 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 1.2110 0.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3501 1.2243 0.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9095 1.9918 2.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8326 2.0515 3.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 1.7452 3.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9569 3.4121 3.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 1.5718 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8719 3.4751 -0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6577 4.1572 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2672 -0.3651 -0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9733 0.6288 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5809 -2.2579 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2497 -1.3114 2.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7981 -2.6834 2.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 -1.2131 3.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 -0.4176 2.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1358 -3.3233 1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1084 -4.4583 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7469 -3.2846 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 -4.4314 -2.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4656 -5.0001 -2.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 -4.0759 -4.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 -2.9628 -4.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 -2.2732 -3.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7258 -1.3480 -3.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 -3.7620 -1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 0.0408 -1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1299 -0.3139 0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1341 0.5889 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8885 1.8417 -1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6285 2.8469 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7968 1.5106 1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7076 3.6289 -1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8207 3.6648 0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 1.2202 -2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9889 2.0112 -3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9163 4.5947 -1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2635 4.6603 -2.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 2.0936 2.8532 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 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 3 30 31 1 0 30 32 1 0 25 33 1 0 33 34 2 0 33 35 1 0 10 6 1 0 21 17 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 6 3 40 1 0 3 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 1 13 49 1 0 14 50 1 0 14 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 6 24 59 1 0 25 60 1 1 26 61 1 0 26 62 1 0 27 63 1 0 27 64 1 0 28 65 1 0 28 66 1 0 31 67 1 0 31 68 1 0 32 69 1 0 32 70 1 0 35 71 1 0 M END