ZINC03858262 -OEChem-08230709453D 44 46 0 0 0 0 0 0 0999 V2000 9.2630 -0.3806 -4.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7095 -0.3636 -2.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3668 0.3697 -2.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8132 0.3866 -1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4705 1.1199 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 1.1368 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 1.8591 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4322 1.1451 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 1.8138 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0126 1.0758 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2005 1.7555 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1816 3.2208 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2289 3.8410 0.0451 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0118 3.8818 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1662 3.2202 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 3.9299 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5664 3.2518 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7311 3.9496 -0.0236 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4867 1.0206 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 1.7018 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8366 0.3454 0.0270 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6389 -0.9810 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 -0.3107 0.0074 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8486 -2.3502 0.0084 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5602 -0.8937 -5.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4035 0.6430 -4.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2196 -0.9030 -4.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4122 0.1495 -2.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5689 -1.3872 -2.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -0.1435 -3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5073 1.3932 -3.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5160 0.8998 -0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6727 -0.6370 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 0.6067 -2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6111 2.1434 -1.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 1.6500 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7765 0.1132 0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 0.0655 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 5.0098 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0595 4.1562 -0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8545 2.7663 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7524 -2.7025 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0917 -2.9568 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 17 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 15 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 41 1 0 0 0 0 19 23 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END > ZINC03858262 $$$$ ZINC03903097 -OEChem-08230709453D 43 46 0 0 0 0 0 0 0999 V2000 0.8482 11.5963 0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2766 11.5566 0.0521 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 10.3296 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 10.2209 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8397 8.9782 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0484 7.8265 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6557 7.9408 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 9.1876 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 6.4949 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 5.4262 -0.0037 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5449 4.1608 -0.0179 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 3.0303 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3784 1.8144 -0.0314 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5825 -1.1676 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6964 0.6450 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2626 -0.4345 -0.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2672 0.7544 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 -0.3410 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 1.7709 0.0109 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7194 2.0577 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 3.1676 -0.0032 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 -0.9320 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 -2.3357 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5602 -2.6664 0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7353 -1.8076 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5136 12.6336 0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4617 11.0982 -0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 11.0873 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8548 11.1115 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9164 8.8947 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 7.0533 0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9927 9.2769 0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 6.4084 -0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5118 4.0832 -0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6154 -0.9593 0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9149 -0.5867 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4687 -3.0650 -0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4387 -2.3572 -1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3612 -2.4656 1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 -3.7198 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5812 -1.9489 0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 -2.0987 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 22 2 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 26 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END > ZINC03903097 $$$$ ZINC04146832 -OEChem-08230709453D 48 52 0 0 0 0 0 0 0999 V2000 1.1691 2.0905 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 1.3819 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2261 -0.6821 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4168 0.0428 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3827 1.4229 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.3248 -0.0225 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 -2.1627 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 -2.8519 -0.0079 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 -4.1808 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 -4.8213 -0.0337 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 -4.1337 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4217 -2.8045 -0.0357 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 -4.7996 -0.0574 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6863 -6.2643 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -6.7829 -1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9937 -8.3125 -1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 -8.7935 -1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1693 -8.2749 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1387 -6.7453 -0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4709 -8.8052 1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 -8.3242 1.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2953 -8.8428 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9879 -6.7946 1.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 -4.8958 -0.0102 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 -0.7012 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1499 3.1704 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9596 1.9084 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3648 -0.4745 -0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4871 -4.2979 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 -6.4402 -1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4606 -6.4051 -2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -8.6819 -2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9436 -8.4157 -2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4679 -9.8832 -1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 -8.6176 -0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6362 -6.3675 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -6.3759 0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4928 -9.8949 1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9862 -8.4358 2.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -8.7020 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 -8.5001 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3171 -9.9325 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 -6.4252 2.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9532 -6.4519 1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0142 -5.8656 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8844 -4.4285 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5085 -0.8985 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 8 13 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 20 1 0 0 0 0 15 24 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 23 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 M END > ZINC04146832 $$$$ ZINC04154833 -OEChem-08230709453D 43 46 0 0 0 0 0 0 0999 V2000 5.5487 -6.4280 -0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7033 -4.9318 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6321 -4.1827 -0.4145 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7012 -2.8635 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9694 -2.2276 -0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 -0.8014 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5862 -0.4573 -0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 -1.9892 -0.7218 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0648 -3.0929 -0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9055 -4.3997 -0.7124 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1666 0.9237 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0224 1.9348 -0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8897 1.5505 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2175 0.2645 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5567 -2.1138 -0.1267 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 -2.7352 0.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2702 -2.0604 0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 -0.8637 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9098 -0.6673 -1.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 0.4535 -2.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 1.3901 -2.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 1.2041 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1108 0.0826 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -0.1007 0.9222 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6086 2.4925 -2.8444 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3853 -6.7125 -1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4531 -6.9104 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6961 -6.7432 -0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6703 1.0876 0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8788 1.0420 -1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3817 2.9350 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6589 1.9155 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2965 1.3942 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1538 2.3540 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 -0.0786 0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6966 0.4541 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5695 -1.1574 -0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4769 -2.3763 1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 -1.3930 -1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3764 0.6067 -3.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8043 1.9350 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 0.3480 1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0191 2.3747 -3.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 10 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 9 2 0 0 0 0 5 6 1 0 0 0 0 6 14 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 3 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 23 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > ZINC04154833 $$$$