ZINC03834185 3D Structure written by MMmdl. 21 21 0 0 1 0 999 V2000 -2.6325 -0.0128 -0.0685 C 0 0 0 0 0 0 -2.0287 -0.9241 0.8163 C 0 0 0 0 0 0 -0.6259 -0.9959 0.9076 C 0 0 0 0 0 0 0.1813 -0.1525 0.1104 C 0 0 0 0 0 0 -0.4324 0.7634 -0.7790 C 0 0 0 0 0 0 -1.8361 0.8295 -0.8649 C 0 0 0 0 0 0 1.6887 -0.2348 0.2134 C 0 0 0 0 0 0 2.2431 -0.6871 -1.0922 N 0 3 0 0 0 0 2.2141 1.0601 0.7269 N 0 3 0 0 0 0 -3.7123 0.0393 -0.1358 H 0 0 0 0 0 0 -2.6528 -1.5676 1.4245 H 0 0 0 0 0 0 -0.2008 -1.7106 1.6008 H 0 0 0 0 0 0 0.1350 1.4316 -1.4118 H 0 0 0 0 0 0 -2.3171 1.5258 -1.5413 H 0 0 0 0 0 0 1.9465 -0.9987 0.9512 H 0 0 0 0 0 0 2.0058 -0.0700 -1.8584 H 0 0 0 0 0 0 3.2399 -0.8635 -1.0802 H 0 0 0 0 0 0 1.7962 -1.5725 -1.3123 H 0 0 0 0 0 0 3.2081 1.0569 0.9192 H 0 0 0 0 0 0 1.9740 1.8468 0.1373 H 0 0 0 0 0 0 1.7497 1.2371 1.6129 H 0 0 0 0 0 0 1 6 2 0 0 0 1 2 1 0 0 0 1 10 1 0 0 0 2 3 2 0 0 0 2 11 1 0 0 0 3 4 1 0 0 0 3 12 1 0 0 0 4 5 2 0 0 0 4 7 1 0 0 0 5 6 1 0 0 0 5 13 1 0 0 0 6 14 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 15 1 0 0 0 8 16 1 0 0 0 8 17 1 0 0 0 8 18 1 0 0 0 9 19 1 0 0 0 9 20 1 0 0 0 9 21 1 0 0 0 M CHG 2 8 1 9 1 M END > ZINC03834185 > 1 > CORINA 3.44 0027 09.01.2008 > 1 > 64.6627 > 0.000215107 > 1 $$$$ ZINC04617941 3D Structure written by MMmdl. 48 50 0 0 1 0 999 V2000 -7.0365 1.2423 1.9198 C 0 0 0 0 0 0 -7.1176 -0.1531 1.2797 C 0 0 0 0 0 0 -8.5713 -0.5085 0.9341 C 0 0 0 0 0 0 -6.2120 -0.2620 0.0420 C 0 0 0 0 0 0 -4.8591 -0.0892 0.4449 O 0 0 0 0 0 0 -3.8781 -0.1285 -0.5244 C 0 0 0 0 0 0 -4.1169 -0.3560 -1.9000 C 0 0 0 0 0 0 -3.0431 -0.3766 -2.8080 C 0 0 0 0 0 0 -1.7272 -0.1715 -2.3526 C 0 0 0 0 0 0 -1.4616 0.0573 -0.9834 C 0 0 0 0 0 0 -2.5583 0.0755 -0.0753 C 0 0 0 0 0 0 -2.4166 0.2877 1.2698 O 0 0 0 0 0 0 -0.0715 0.2666 -0.5503 C 0 0 0 0 0 0 0.2729 0.4909 0.7313 N 0 0 0 0 0 0 1.6397 0.6452 0.8075 C 0 0 0 0 0 0 2.5675 0.8929 1.8326 C 0 0 0 0 0 0 3.9361 0.9893 1.5138 C 0 0 0 0 0 0 4.3759 0.8377 0.1693 C 0 0 0 0 0 0 3.4231 0.5881 -0.8511 C 0 0 0 0 0 0 2.0489 0.4900 -0.5408 C 0 0 0 0 0 0 0.9874 0.2559 -1.3778 N 0 0 0 0 0 0 5.8454 0.9364 -0.2052 C 0 0 0 0 0 0 5.0590 1.2935 2.7853 Cl 0 0 0 0 0 0 6.2910 -0.3762 -0.7476 N 0 3 0 0 0 0 6.0318 2.1020 -1.1121 N 0 3 0 0 0 0 -6.0167 1.4843 2.2194 H 0 0 0 0 0 0 -7.3715 2.0167 1.2289 H 0 0 0 0 0 0 -7.6606 1.3027 2.8121 H 0 0 0 0 0 0 -6.7693 -0.8812 2.0139 H 0 0 0 0 0 0 -8.6459 -1.5161 0.5236 H 0 0 0 0 0 0 -9.2078 -0.4709 1.8190 H 0 0 0 0 0 0 -8.9872 0.1811 0.1985 H 0 0 0 0 0 0 -6.3345 -1.2444 -0.4176 H 0 0 0 0 0 0 -6.4943 0.4930 -0.6941 H 0 0 0 0 0 0 -5.1132 -0.5179 -2.2838 H 0 0 0 0 0 0 -3.2318 -0.5509 -3.8582 H 0 0 0 0 0 0 -0.9174 -0.1914 -3.0669 H 0 0 0 0 0 0 -3.2961 0.2477 1.6372 H 0 0 0 0 0 0 -0.4660 0.5169 1.4356 H 0 0 0 0 0 0 2.2263 1.0073 2.8543 H 0 0 0 0 0 0 3.6497 0.4579 -1.8988 H 0 0 0 0 0 0 6.4697 1.1300 0.6669 H 0 0 0 0 0 0 5.7376 -0.6868 -1.5357 H 0 0 0 0 0 0 7.2775 -0.4187 -0.9703 H 0 0 0 0 0 0 6.1336 -1.0652 -0.0179 H 0 0 0 0 0 0 5.4506 2.0562 -1.9392 H 0 0 0 0 0 0 5.7163 2.9235 -0.6046 H 0 0 0 0 0 0 6.9954 2.2782 -1.3670 H 0 0 0 0 0 0 1 2 1 0 0 0 1 26 1 0 0 0 1 27 1 0 0 0 1 28 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 29 1 0 0 0 3 30 1 0 0 0 3 31 1 0 0 0 3 32 1 0 0 0 4 5 1 0 0 0 4 33 1 0 0 0 4 34 1 0 0 0 5 6 1 0 0 0 6 11 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 35 1 0 0 0 8 9 1 0 0 0 8 36 1 0 0 0 9 10 2 0 0 0 9 37 1 0 0 0 10 11 1 0 0 0 10 13 1 0 0 0 11 12 1 0 0 0 12 38 1 0 0 0 13 21 2 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 39 1 0 0 0 15 20 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 16 40 1 0 0 0 17 18 1 0 0 0 17 23 1 0 0 0 18 19 2 0 0 0 18 22 1 0 0 0 19 20 1 0 0 0 19 41 1 0 0 0 20 21 1 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 22 42 1 0 0 0 24 43 1 0 0 0 24 44 1 0 0 0 24 45 1 0 0 0 25 46 1 0 0 0 25 47 1 0 0 0 25 48 1 0 0 0 M CHG 2 24 1 25 1 M END > ZINC04617941 > 2 > CORINA 3.44 0027 09.01.2008 > 1 > 45.5361 > 0.000122914 > 1 $$$$ ZINC03815826 3D Structure written by MMmdl. 49 52 0 0 1 0 999 V2000 5.0540 0.2560 1.5645 C 0 0 0 0 0 0 3.6485 0.1864 1.6684 C 0 0 0 0 0 0 2.8621 0.3661 0.5181 C 0 0 0 0 0 0 3.4541 0.6166 -0.7494 C 0 0 0 0 0 0 4.8650 0.6839 -0.8395 C 0 0 0 0 0 0 5.6721 0.5044 0.3141 C 0 0 0 0 0 0 7.1850 0.5767 0.2163 C 0 0 0 0 0 0 2.5015 0.7605 -1.7353 N 0 0 0 0 0 0 1.3486 0.5991 -1.0728 C 0 0 0 0 0 0 1.5066 0.3665 0.2452 N 0 0 0 0 0 0 -0.0054 0.6735 -1.7545 C 0 0 0 0 0 0 -1.2935 0.4847 -0.9677 C 0 0 0 0 0 0 -2.4927 0.5546 -1.5936 N 0 0 0 0 0 0 -3.4813 0.3472 -0.6439 C 0 0 0 0 0 0 -4.8956 0.3026 -0.6799 C 0 0 0 0 0 0 -5.6129 0.0593 0.5223 C 0 0 0 0 0 0 -4.8906 -0.1322 1.7257 C 0 0 0 0 0 0 -3.4799 -0.0839 1.7402 C 0 0 0 0 0 0 -2.7471 0.1557 0.5617 C 0 0 0 0 0 0 -1.3843 0.2438 0.3462 N 0 0 0 0 0 0 -7.1351 -0.0005 0.5491 C 0 0 0 0 0 0 7.6668 -0.5282 -0.6546 N 0 3 0 0 0 0 7.5774 1.9472 -0.2069 N 0 3 0 0 0 0 -7.6930 1.3276 0.1780 N 0 3 0 0 0 0 -7.6035 -1.1504 -0.2701 N 0 3 0 0 0 0 5.6283 0.1122 2.4742 H 0 0 0 0 0 0 3.1710 -0.0034 2.6226 H 0 0 0 0 0 0 5.2416 0.8772 -1.8335 H 0 0 0 0 0 0 7.6107 0.4125 1.2095 H 0 0 0 0 0 0 0.7038 0.2267 0.8576 H 0 0 0 0 0 0 0.0018 -0.0650 -2.5570 H 0 0 0 0 0 0 -0.0599 1.6447 -2.2478 H 0 0 0 0 0 0 -2.5845 0.7307 -2.5856 H 0 0 0 0 0 0 -5.3650 0.4594 -1.6407 H 0 0 0 0 0 0 -5.3882 -0.3211 2.6709 H 0 0 0 0 0 0 -2.9306 -0.2308 2.6622 H 0 0 0 0 0 0 -7.4559 -0.1976 1.5753 H 0 0 0 0 0 0 7.2710 -0.4982 -1.5849 H 0 0 0 0 0 0 8.6754 -0.6049 -0.7052 H 0 0 0 0 0 0 7.3322 -1.3950 -0.2453 H 0 0 0 0 0 0 7.1883 2.5905 0.4754 H 0 0 0 0 0 0 8.5775 2.1070 -0.2148 H 0 0 0 0 0 0 7.1730 2.2170 -1.0939 H 0 0 0 0 0 0 -8.6992 1.3923 0.2770 H 0 0 0 0 0 0 -7.4148 1.6348 -0.7442 H 0 0 0 0 0 0 -7.3001 2.0060 0.8235 H 0 0 0 0 0 0 -7.3162 -1.0954 -1.2379 H 0 0 0 0 0 0 -7.1562 -1.9825 0.1022 H 0 0 0 0 0 0 -8.6015 -1.3157 -0.2127 H 0 0 0 0 0 0 1 6 2 0 0 0 1 2 1 0 0 0 1 26 1 0 0 0 2 3 2 0 0 0 2 27 1 0 0 0 3 10 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 4 8 1 0 0 0 5 6 1 0 0 0 5 28 1 0 0 0 6 7 1 0 0 0 7 22 1 0 0 0 7 23 1 0 0 0 7 29 1 0 0 0 8 9 2 0 0 0 9 11 1 0 0 0 9 10 1 0 0 0 10 30 1 0 0 0 11 12 1 0 0 0 11 31 1 0 0 0 11 32 1 0 0 0 12 20 2 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 33 1 0 0 0 14 19 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 15 34 1 0 0 0 16 17 1 0 0 0 16 21 1 0 0 0 17 18 2 0 0 0 17 35 1 0 0 0 18 19 1 0 0 0 18 36 1 0 0 0 19 20 1 0 0 0 21 24 1 0 0 0 21 25 1 0 0 0 21 37 1 0 0 0 22 38 1 0 0 0 22 39 1 0 0 0 22 40 1 0 0 0 23 41 1 0 0 0 23 42 1 0 0 0 23 43 1 0 0 0 24 44 1 0 0 0 24 45 1 0 0 0 24 46 1 0 0 0 25 47 1 0 0 0 25 48 1 0 0 0 25 49 1 0 0 0 M CHG 4 22 1 23 1 24 1 25 1 M END > ZINC03815826 > 3 > CORINA 3.44 0027 09.01.2008 > 1 > 219.088 > 5.1743e-05 > 1 $$$$ ZINC04617942 3D Structure written by MMmdl. 55 58 0 0 1 0 999 V2000 -5.6578 -2.4620 -1.0061 C 0 0 0 0 0 0 -5.9876 -0.9644 -1.1179 C 0 0 1 0 0 0 -7.4964 -0.7238 -0.9075 C 0 0 0 0 0 0 -7.8575 0.7661 -1.0110 C 0 0 0 0 0 0 -7.0275 1.6060 -0.0295 C 0 0 0 0 0 0 -5.5242 1.3756 -0.2447 C 0 0 0 0 0 0 -5.1582 -0.1192 -0.1253 C 0 0 2 0 0 0 -3.7828 -0.2997 -0.4556 O 0 0 0 0 0 0 -2.8046 -0.0284 0.4816 C 0 0 0 0 0 0 -3.0429 0.4213 1.8020 C 0 0 0 0 0 0 -1.9644 0.6627 2.6715 C 0 0 0 0 0 0 -0.6427 0.4572 2.2341 C 0 0 0 0 0 0 -0.3764 0.0075 0.9212 C 0 0 0 0 0 0 -1.4782 -0.2320 0.0518 C 0 0 0 0 0 0 -1.3356 -0.6690 -1.2379 O 0 0 0 0 0 0 1.0198 -0.1955 0.5048 C 0 0 0 0 0 0 1.3651 -0.6212 -0.7243 N 0 0 0 0 0 0 2.7381 -0.7100 -0.7989 C 0 0 0 0 0 0 3.6694 -1.0819 -1.7839 C 0 0 0 0 0 0 5.0408 -1.0420 -1.4719 C 0 0 0 0 0 0 5.4800 -0.6349 -0.1894 C 0 0 0 0 0 0 4.5309 -0.2624 0.7945 C 0 0 0 0 0 0 3.1501 -0.2976 0.4955 C 0 0 0 0 0 0 2.0833 0.0197 1.2977 N 0 0 0 0 0 0 6.9623 -0.6012 0.1206 C 0 0 0 0 0 0 5.9575 -1.3936 -2.3975 F 0 0 0 0 0 0 7.3656 0.8032 0.4039 N 0 3 0 0 0 0 7.2536 -1.5844 1.1994 N 0 3 0 0 0 0 -5.8797 -2.8440 -0.0092 H 0 0 0 0 0 0 -4.6040 -2.6543 -1.2077 H 0 0 0 0 0 0 -6.2377 -3.0461 -1.7213 H 0 0 0 0 0 0 -5.7369 -0.6435 -2.1303 H 0 0 0 0 0 0 -8.0716 -1.2873 -1.6436 H 0 0 0 0 0 0 -7.7990 -1.1019 0.0703 H 0 0 0 0 0 0 -8.9214 0.9056 -0.8134 H 0 0 0 0 0 0 -7.6878 1.1157 -2.0306 H 0 0 0 0 0 0 -7.2973 1.3471 0.9954 H 0 0 0 0 0 0 -7.2651 2.6634 -0.1529 H 0 0 0 0 0 0 -4.9603 1.9734 0.4704 H 0 0 0 0 0 0 -5.2419 1.7405 -1.2330 H 0 0 0 0 0 0 -5.3754 -0.4882 0.8779 H 0 0 0 0 0 0 -4.0411 0.5931 2.1748 H 0 0 0 0 0 0 -2.1541 1.0072 3.6785 H 0 0 0 0 0 0 0.1707 0.6483 2.9185 H 0 0 0 0 0 0 -2.2202 -0.7447 -1.5875 H 0 0 0 0 0 0 0.6222 -0.8119 -1.3985 H 0 0 0 0 0 0 3.3324 -1.3933 -2.7647 H 0 0 0 0 0 0 4.7650 0.0611 1.7978 H 0 0 0 0 0 0 7.5336 -0.9195 -0.7543 H 0 0 0 0 0 0 8.3591 0.9254 0.5539 H 0 0 0 0 0 0 7.1328 1.3474 -0.4217 H 0 0 0 0 0 0 6.8400 1.2210 1.1610 H 0 0 0 0 0 0 6.9527 -2.4925 0.8576 H 0 0 0 0 0 0 8.2371 -1.6757 1.4206 H 0 0 0 0 0 0 6.7161 -1.4198 2.0408 H 0 0 0 0 0 0 1 2 1 0 0 0 1 29 1 0 0 0 1 30 1 0 0 0 1 31 1 0 0 0 2 7 1 0 0 0 2 3 1 0 0 0 2 32 1 0 0 0 3 4 1 0 0 0 3 33 1 0 0 0 3 34 1 0 0 0 4 5 1 0 0 0 4 35 1 0 0 0 4 36 1 0 0 0 5 6 1 0 0 0 5 37 1 0 0 0 5 38 1 0 0 0 6 7 1 0 0 0 6 39 1 0 0 0 6 40 1 0 0 0 7 8 1 0 0 0 7 41 1 0 0 0 8 9 1 0 0 0 9 14 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 10 42 1 0 0 0 11 12 1 0 0 0 11 43 1 0 0 0 12 13 2 0 0 0 12 44 1 0 0 0 13 14 1 0 0 0 13 16 1 0 0 0 14 15 1 0 0 0 15 45 1 0 0 0 16 24 2 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 17 46 1 0 0 0 18 23 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 19 47 1 0 0 0 20 21 1 0 0 0 20 26 1 0 0 0 21 22 2 0 0 0 21 25 1 0 0 0 22 23 1 0 0 0 22 48 1 0 0 0 23 24 1 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 25 49 1 0 0 0 27 50 1 0 0 0 27 51 1 0 0 0 27 52 1 0 0 0 28 53 1 0 0 0 28 54 1 0 0 0 28 55 1 0 0 0 M CHG 2 27 1 28 1 M END > ZINC04617942 > 4 > CORINA 3.44 0027 09.01.2008 > 1 > 2_S_7_3_1_32 > 7_S_8_2_6_41 > 47.4142 > 0.000111531 > 1 $$$$ ZINC03834187 3D Structure written by MMmdl. 54 56 0 0 1 0 999 V2000 2.5800 0.1444 -0.0066 C 0 0 0 0 0 0 1.0650 0.0634 -0.0003 C 0 0 0 0 0 0 0.4098 -1.1803 -0.1361 C 0 0 0 0 0 0 -1.0033 -1.2007 -0.1100 C 0 0 0 0 0 0 -1.7550 -0.0864 0.0046 N 0 0 0 0 0 0 -1.1252 1.1015 0.1146 C 0 0 0 0 0 0 0.2822 1.2312 0.1340 C 0 0 0 0 0 0 0.8648 2.4487 0.2836 F 0 0 0 0 0 0 -1.9618 2.1846 0.2709 O 0 0 0 0 0 0 -1.7970 3.2812 -0.5413 C 0 0 0 0 0 0 -1.8063 3.1513 -1.9456 C 0 0 0 0 0 0 -1.6638 4.2869 -2.7629 C 0 0 0 0 0 0 -1.5244 5.5629 -2.1857 C 0 0 0 0 0 0 -1.5309 5.7149 -0.7806 C 0 0 0 0 0 0 -1.6680 4.5641 0.0375 C 0 0 0 0 0 0 -1.4005 7.1047 -0.1778 C 0 0 0 0 0 0 -1.7210 -2.3662 -0.2653 O 0 0 0 0 0 0 -1.4362 -3.4410 0.5429 C 0 0 0 0 0 0 -1.4504 -3.3160 1.9476 C 0 0 0 0 0 0 -1.1836 -4.4319 2.7608 C 0 0 0 0 0 0 -0.9137 -5.6847 2.1792 C 0 0 0 0 0 0 -0.9128 -5.8335 0.7737 C 0 0 0 0 0 0 -1.1758 -4.7019 -0.0404 C 0 0 0 0 0 0 -0.6401 -7.2005 0.1662 C 0 0 0 0 0 0 1.1175 -2.3283 -0.2963 F 0 0 0 0 0 0 -2.6632 7.4772 0.5202 N 0 3 0 0 0 0 -0.1601 7.1917 0.6425 N 0 3 0 0 0 0 -1.8609 -7.7030 -0.5248 N 0 3 0 0 0 0 0.5971 -7.1540 -0.6622 N 0 3 0 0 0 0 2.9461 0.2878 -1.0234 H 0 0 0 0 0 0 2.9315 0.9766 0.6038 H 0 0 0 0 0 0 3.0242 -0.7686 0.3908 H 0 0 0 0 0 0 -1.9317 2.1791 -2.4046 H 0 0 0 0 0 0 -1.6706 4.1731 -3.8401 H 0 0 0 0 0 0 -1.4226 6.4100 -2.8531 H 0 0 0 0 0 0 -1.6828 4.6246 1.1167 H 0 0 0 0 0 0 -1.2783 7.8204 -0.9950 H 0 0 0 0 0 0 -1.6751 -2.3635 2.4101 H 0 0 0 0 0 0 -1.1957 -4.3218 3.8384 H 0 0 0 0 0 0 -0.7188 -6.5178 2.8436 H 0 0 0 0 0 0 -1.1908 -4.7612 -1.1195 H 0 0 0 0 0 0 -0.4375 -7.9009 0.9806 H 0 0 0 0 0 0 -2.9057 6.8507 1.2770 H 0 0 0 0 0 0 -2.6836 8.4361 0.8471 H 0 0 0 0 0 0 -3.4178 7.3956 -0.1552 H 0 0 0 0 0 0 -0.1409 6.5364 1.4132 H 0 0 0 0 0 0 0.6174 6.9325 0.0424 H 0 0 0 0 0 0 0.0431 8.1258 0.9786 H 0 0 0 0 0 0 -2.1733 -7.1041 -1.2782 H 0 0 0 0 0 0 -1.7819 -8.6580 -0.8542 H 0 0 0 0 0 0 -2.6153 -7.7030 0.1557 H 0 0 0 0 0 0 0.8957 -8.0607 -1.0022 H 0 0 0 0 0 0 0.5418 -6.4987 -1.4312 H 0 0 0 0 0 0 1.3468 -6.8154 -0.0663 H 0 0 0 0 0 0 1 2 1 0 0 0 1 30 1 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 2 7 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 25 1 0 0 0 4 5 1 0 0 0 4 17 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 6 9 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 10 15 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 11 33 1 0 0 0 12 13 1 0 0 0 12 34 1 0 0 0 13 14 2 0 0 0 13 35 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 15 36 1 0 0 0 16 26 1 0 0 0 16 27 1 0 0 0 16 37 1 0 0 0 17 18 1 0 0 0 18 23 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 19 38 1 0 0 0 20 21 1 0 0 0 20 39 1 0 0 0 21 22 2 0 0 0 21 40 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 23 41 1 0 0 0 24 28 1 0 0 0 24 29 1 0 0 0 24 42 1 0 0 0 26 43 1 0 0 0 26 44 1 0 0 0 26 45 1 0 0 0 27 46 1 0 0 0 27 47 1 0 0 0 27 48 1 0 0 0 28 49 1 0 0 0 28 50 1 0 0 0 28 51 1 0 0 0 29 52 1 0 0 0 29 53 1 0 0 0 29 54 1 0 0 0 M CHG 4 26 1 27 1 28 1 29 1 M END > ZINC03834187 > 5 > CORINA 3.44 0027 09.01.2008 > 1 > 213.098 > 5.06135e-05 > 1 $$$$ ZINC03832369 3D Structure written by MMmdl. 53 56 0 0 1 0 999 V2000 -3.1924 -4.4678 -0.3835 C 0 0 0 0 0 0 -3.9788 -3.3083 -0.3946 C 0 0 0 0 0 0 -3.3688 -2.1186 0.0165 C 0 0 0 0 0 0 -2.0046 -2.1171 0.4220 C 0 0 0 0 0 0 -1.5602 -0.8139 0.8362 C 0 0 0 0 0 0 -2.5620 0.1175 0.7238 C 0 0 0 0 0 0 -4.0664 -0.5090 0.1237 S 0 0 0 0 0 0 -2.3742 1.8409 1.1233 S 0 0 0 0 0 0 -3.1716 2.6088 0.1614 O 0 0 0 0 0 0 -2.5414 1.9559 2.5750 O 0 0 0 0 0 0 -0.7237 2.1562 0.7984 N 0 0 1 0 0 0 -0.3033 2.3221 -0.5987 C 0 0 1 0 0 0 0.2442 3.7298 -0.8630 C 0 0 0 0 0 0 1.7365 3.5497 -1.1779 C 0 0 0 0 0 0 1.9704 2.1131 -1.2660 N 0 0 0 0 0 0 0.8555 1.4133 -0.9654 C 0 0 0 0 0 0 0.7197 0.1768 -0.9404 O 0 0 0 0 0 0 3.3725 1.6720 -1.4580 C 0 0 0 0 0 0 3.7929 0.4538 -0.6352 C 0 0 0 0 0 0 3.2840 -0.8015 -0.9966 C 0 0 0 0 0 0 3.2289 -1.8426 -0.0445 C 0 0 0 0 0 0 4.0578 -1.7463 1.1002 C 0 0 0 0 0 0 4.7577 -0.5507 1.3654 C 0 0 0 0 0 0 4.5668 0.5751 0.5393 C 0 0 0 0 0 0 5.0890 1.7814 0.8926 O 0 0 0 0 0 0 2.1511 -2.9231 -0.1567 C 0 0 0 0 0 0 -1.2237 -3.2225 0.3638 N 0 0 0 0 0 0 -1.8578 -4.3802 0.0207 C 0 0 0 0 0 0 1.5032 -3.0614 1.1741 N 0 3 0 0 0 0 1.1430 -2.5458 -1.1861 N 0 3 0 0 0 0 -3.6326 -5.4197 -0.6638 H 0 0 0 0 0 0 -5.0206 -3.3278 -0.6913 H 0 0 0 0 0 0 -0.5943 -0.5283 1.2096 H 0 0 0 0 0 0 -0.4553 2.9583 1.3680 H 0 0 0 0 0 0 -1.1364 2.1110 -1.2722 H 0 0 0 0 0 0 -0.2677 4.1727 -1.7198 H 0 0 0 0 0 0 0.0961 4.4149 -0.0265 H 0 0 0 0 0 0 2.0103 4.0480 -2.1096 H 0 0 0 0 0 0 2.3496 3.9752 -0.3807 H 0 0 0 0 0 0 3.5123 1.4422 -2.5148 H 0 0 0 0 0 0 4.0516 2.5034 -1.2614 H 0 0 0 0 0 0 2.7473 -0.8337 -1.9331 H 0 0 0 0 0 0 4.1366 -2.5449 1.8250 H 0 0 0 0 0 0 5.3665 -0.4715 2.2570 H 0 0 0 0 0 0 5.7493 1.7735 1.5732 H 0 0 0 0 0 0 2.6039 -3.8766 -0.4369 H 0 0 0 0 0 0 -1.2581 -5.2797 0.0344 H 0 0 0 0 0 0 1.4871 -2.1605 1.6358 H 0 0 0 0 0 0 0.5444 -3.4064 1.1184 H 0 0 0 0 0 0 2.0435 -3.6838 1.7621 H 0 0 0 0 0 0 1.5251 -2.6910 -2.1120 H 0 0 0 0 0 0 0.2674 -3.0521 -1.1069 H 0 0 0 0 0 0 0.9369 -1.5428 -1.1149 H 0 0 0 0 0 0 1 28 2 0 0 0 1 2 1 0 0 0 1 31 1 0 0 0 2 3 2 0 0 0 2 32 1 0 0 0 3 7 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 27 2 0 0 0 5 6 2 0 0 0 5 33 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 8 9 2 0 0 0 8 10 2 0 0 0 8 11 1 0 0 0 11 12 1 0 0 0 11 34 1 0 0 0 12 16 1 0 0 0 12 13 1 0 0 0 12 35 1 0 0 0 13 14 1 0 0 0 13 36 1 0 0 0 13 37 1 0 0 0 14 15 1 0 0 0 14 38 1 0 0 0 14 39 1 0 0 0 15 16 1 0 0 0 15 18 1 0 0 0 16 17 2 0 0 0 18 19 1 0 0 0 18 40 1 0 0 0 18 41 1 0 0 0 19 24 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 20 42 1 0 0 0 21 22 1 0 0 0 21 26 1 0 0 0 22 23 2 0 0 0 22 43 1 0 0 0 23 24 1 0 0 0 23 44 1 0 0 0 24 25 1 0 0 0 25 45 1 0 0 0 26 29 1 0 0 0 26 30 1 0 0 0 26 46 1 0 0 0 27 28 1 0 0 0 28 47 1 0 0 0 29 48 1 0 0 0 29 49 1 0 0 0 29 50 1 0 0 0 30 51 1 0 0 0 30 52 1 0 0 0 30 53 1 0 0 0 M CHG 2 29 1 30 1 M END > ZINC03832369 > 6 > CORINA 3.44 0027 09.01.2008 > 1 > 12_S_11_16_13_35 > -54.1802 > 7.68873e-05 > 1 $$$$ ZINC03834186 3D Structure written by MMmdl. 62 64 0 0 1 0 999 V2000 -5.3220 -2.1755 0.7801 C 0 0 0 0 0 0 -3.8307 -2.0018 0.5727 C 0 0 0 0 0 0 -3.2500 -2.3117 -0.6755 C 0 0 0 0 0 0 -1.8658 -2.1397 -0.8724 C 0 0 0 0 0 0 -1.0692 -1.6616 0.1855 C 0 0 0 0 0 0 -1.6395 -1.3543 1.4359 C 0 0 0 0 0 0 -3.0241 -1.5280 1.6288 C 0 0 0 0 0 0 0.6718 -1.3469 -0.0976 S 0 0 0 0 0 0 1.3519 -2.4892 -0.7275 O 0 0 0 0 0 0 1.3174 -0.7982 1.1035 O 0 0 0 0 0 0 0.6590 -0.1185 -1.2738 N 0 0 2 0 0 0 0.2530 1.2462 -0.8998 C 0 0 1 0 0 0 1.4122 2.2318 -1.2131 C 0 0 0 0 0 0 2.6619 1.8691 -0.4186 C 0 0 0 0 0 0 2.9766 2.5446 0.7769 C 0 0 0 0 0 0 3.9889 2.0464 1.6188 C 0 0 0 0 0 0 4.6449 0.8402 1.3022 C 0 0 0 0 0 0 4.3414 0.1712 0.0912 C 0 0 0 0 0 0 3.4207 0.7469 -0.8023 C 0 0 0 0 0 0 4.8439 -1.2236 -0.2130 C 0 0 0 0 0 0 -1.0389 1.5895 -1.6549 C 0 0 0 0 0 0 -1.2150 0.9857 -2.7156 O 0 0 0 0 0 0 -1.9683 2.4092 -1.1089 N 0 0 0 0 0 0 -3.3371 2.4829 -1.6419 C 0 0 0 0 0 0 -4.3199 1.8643 -0.6292 C 0 0 0 0 0 0 -4.1926 2.5251 0.7537 C 0 0 0 0 0 0 -2.7302 2.5631 1.2279 C 0 0 0 0 0 0 -1.8164 3.1641 0.1444 C 0 0 0 0 0 0 6.2665 -1.3684 0.1936 N 0 3 0 0 0 0 3.8997 -2.1941 0.4033 N 0 3 0 0 0 0 -5.5327 -3.1489 1.2242 H 0 0 0 0 0 0 -5.7161 -1.4045 1.4433 H 0 0 0 0 0 0 -5.8624 -2.1082 -0.1650 H 0 0 0 0 0 0 -3.8671 -2.6739 -1.4870 H 0 0 0 0 0 0 -1.4245 -2.3612 -1.8332 H 0 0 0 0 0 0 -1.0257 -0.9732 2.2388 H 0 0 0 0 0 0 -3.4697 -1.2896 2.5853 H 0 0 0 0 0 0 0.0884 -0.3802 -2.0890 H 0 0 0 0 0 0 0.0481 1.2556 0.1708 H 0 0 0 0 0 0 1.6426 2.2249 -2.2801 H 0 0 0 0 0 0 1.1162 3.2558 -0.9789 H 0 0 0 0 0 0 2.4159 3.4201 1.0783 H 0 0 0 0 0 0 4.2087 2.5646 2.5439 H 0 0 0 0 0 0 5.3420 0.4508 2.0299 H 0 0 0 0 0 0 3.1585 0.2448 -1.7246 H 0 0 0 0 0 0 4.8102 -1.3792 -1.2942 H 0 0 0 0 0 0 -3.4462 1.9861 -2.6079 H 0 0 0 0 0 0 -3.5946 3.5279 -1.8214 H 0 0 0 0 0 0 -4.1279 0.7938 -0.5430 H 0 0 0 0 0 0 -5.3434 1.9612 -0.9947 H 0 0 0 0 0 0 -4.5807 3.5437 0.7000 H 0 0 0 0 0 0 -4.8144 2.0007 1.4807 H 0 0 0 0 0 0 -2.6571 3.1455 2.1476 H 0 0 0 0 0 0 -2.4004 1.5537 1.4747 H 0 0 0 0 0 0 -0.7902 3.2304 0.5011 H 0 0 0 0 0 0 -2.1128 4.1982 -0.0418 H 0 0 0 0 0 0 6.4045 -1.2369 1.1864 H 0 0 0 0 0 0 6.6821 -2.2413 -0.1051 H 0 0 0 0 0 0 6.7825 -0.6252 -0.2667 H 0 0 0 0 0 0 3.0122 -2.1282 -0.1033 H 0 0 0 0 0 0 4.1618 -3.1677 0.3502 H 0 0 0 0 0 0 3.6432 -1.9310 1.3479 H 0 0 0 0 0 0 1 2 1 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 2 7 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 34 1 0 0 0 4 5 1 0 0 0 4 35 1 0 0 0 5 6 2 0 0 0 5 8 1 0 0 0 6 7 1 0 0 0 6 36 1 0 0 0 7 37 1 0 0 0 8 9 2 0 0 0 8 10 2 0 0 0 8 11 1 0 0 0 11 12 1 0 0 0 11 38 1 0 0 0 12 13 1 0 0 0 12 21 1 0 0 0 12 39 1 0 0 0 13 14 1 0 0 0 13 40 1 0 0 0 13 41 1 0 0 0 14 19 2 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 15 42 1 0 0 0 16 17 1 0 0 0 16 43 1 0 0 0 17 18 2 0 0 0 17 44 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 19 45 1 0 0 0 20 29 1 0 0 0 20 30 1 0 0 0 20 46 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 23 28 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 24 47 1 0 0 0 24 48 1 0 0 0 25 26 1 0 0 0 25 49 1 0 0 0 25 50 1 0 0 0 26 27 1 0 0 0 26 51 1 0 0 0 26 52 1 0 0 0 27 28 1 0 0 0 27 53 1 0 0 0 27 54 1 0 0 0 28 55 1 0 0 0 28 56 1 0 0 0 29 57 1 0 0 0 29 58 1 0 0 0 29 59 1 0 0 0 30 60 1 0 0 0 30 61 1 0 0 0 30 62 1 0 0 0 M CHG 2 29 1 30 1 M END > ZINC03834186 > 7 > CORINA 3.44 0027 09.01.2008 > 1 > 12_S_11_21_13_39 > 21.3088 > 5.94989e-05 > 1 $$$$ ZINC03834156 3D Structure written by MMmdl. 56 58 0 0 1 0 999 V2000 5.1840 1.1320 -0.1514 C 0 3 0 0 0 0 4.4065 -0.1330 -0.3494 C 0 0 0 0 0 0 4.6311 -0.9684 -1.4712 C 0 0 0 0 0 0 3.8507 -2.1263 -1.6642 C 0 0 0 0 0 0 2.8173 -2.4413 -0.7618 C 0 0 0 0 0 0 2.5745 -1.6114 0.3515 C 0 0 0 0 0 0 3.4017 -0.4912 0.5756 C 0 0 0 0 0 0 1.3770 -1.8647 1.2571 C 0 0 0 0 0 0 0.2205 -0.8773 0.9704 C 0 0 1 0 0 0 -1.0829 -1.2943 1.6686 C 0 0 0 0 0 0 -1.3386 -0.7320 2.7350 O 0 0 0 0 0 0 -1.9330 -2.1726 1.0881 N 0 0 0 0 0 0 -1.7287 -2.8695 -0.1878 C 0 0 0 0 0 0 -2.7700 -2.3694 -1.2028 C 0 0 0 0 0 0 -4.0748 -2.5902 -0.6821 O 0 0 0 0 0 0 -4.3088 -1.9208 0.5530 C 0 0 0 0 0 0 -3.2895 -2.3970 1.6024 C 0 0 0 0 0 0 0.6029 0.4701 1.4075 N 0 0 1 0 0 0 0.5551 1.7541 0.2808 S 0 0 0 0 0 0 0.9471 2.9616 1.0173 O 0 0 0 0 0 0 1.3188 1.3164 -0.8986 O 0 0 0 0 0 0 -1.1872 1.8494 -0.1269 C 0 0 0 0 0 0 -1.6140 1.5883 -1.4433 C 0 0 0 0 0 0 -2.9908 1.5948 -1.7425 C 0 0 0 0 0 0 -3.9339 1.8571 -0.7265 C 0 0 0 0 0 0 -3.4982 2.1207 0.5900 C 0 0 0 0 0 0 -2.1219 2.1179 0.8912 C 0 0 0 0 0 0 -5.4134 1.8470 -1.0528 C 0 0 0 0 0 0 6.4936 1.1004 -0.5705 N 0 0 0 0 0 0 4.6355 2.1337 0.4311 N 0 0 0 0 0 0 5.3775 -0.7219 -2.2123 H 0 0 0 0 0 0 4.0173 -2.7582 -2.5264 H 0 0 0 0 0 0 2.1959 -3.3069 -0.9476 H 0 0 0 0 0 0 3.2026 0.1502 1.4242 H 0 0 0 0 0 0 1.0419 -2.8948 1.1251 H 0 0 0 0 0 0 1.6907 -1.7874 2.2997 H 0 0 0 0 0 0 0.0396 -0.8382 -0.1035 H 0 0 0 0 0 0 -0.7252 -2.7752 -0.5976 H 0 0 0 0 0 0 -1.8717 -3.9391 -0.0252 H 0 0 0 0 0 0 -2.6713 -2.9092 -2.1450 H 0 0 0 0 0 0 -2.6269 -1.3109 -1.4238 H 0 0 0 0 0 0 -5.3241 -2.1372 0.8864 H 0 0 0 0 0 0 -4.2442 -0.8413 0.4115 H 0 0 0 0 0 0 -3.4279 -3.4607 1.7999 H 0 0 0 0 0 0 -3.4794 -1.8898 2.5499 H 0 0 0 0 0 0 0.0725 0.7074 2.2515 H 0 0 0 0 0 0 -0.8876 1.3792 -2.2151 H 0 0 0 0 0 0 -3.3223 1.3933 -2.7518 H 0 0 0 0 0 0 -4.2152 2.3224 1.3738 H 0 0 0 0 0 0 -1.7812 2.3110 1.8982 H 0 0 0 0 0 0 -5.6059 2.3840 -1.9823 H 0 0 0 0 0 0 -5.7677 0.8222 -1.1694 H 0 0 0 0 0 0 -5.9983 2.3225 -0.2646 H 0 0 0 0 0 0 6.9028 0.2590 -0.9464 H 0 0 0 0 0 0 7.1537 1.8553 -0.4852 H 0 0 0 0 0 0 5.2431 2.9289 0.5289 H 0 0 0 0 0 0 1 2 1 0 0 0 1 29 1 0 0 0 1 30 2 0 0 0 2 7 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 31 1 0 0 0 4 5 1 0 0 0 4 32 1 0 0 0 5 6 2 0 0 0 5 33 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 7 34 1 0 0 0 8 9 1 0 0 0 8 35 1 0 0 0 8 36 1 0 0 0 9 10 1 0 0 0 9 18 1 0 0 0 9 37 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 12 17 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 38 1 0 0 0 13 39 1 0 0 0 14 15 1 0 0 0 14 40 1 0 0 0 14 41 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 16 42 1 0 0 0 16 43 1 0 0 0 17 44 1 0 0 0 17 45 1 0 0 0 18 19 1 0 0 0 18 46 1 0 0 0 19 20 2 0 0 0 19 21 2 0 0 0 19 22 1 0 0 0 22 27 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 23 47 1 0 0 0 24 25 1 0 0 0 24 48 1 0 0 0 25 26 2 0 0 0 25 28 1 0 0 0 26 27 1 0 0 0 26 49 1 0 0 0 27 50 1 0 0 0 28 51 1 0 0 0 28 52 1 0 0 0 28 53 1 0 0 0 29 54 1 0 0 0 29 55 1 0 0 0 30 56 1 0 0 0 M CHG 1 1 1 M END > ZINC03834156 > 7 > CORINA 3.44 0027 09.01.2008 > 1 > 9_S_18_10_8_37 > -32.6411 > 9.69586e-05 > 1 $$$$ ZINC03834126 3D Structure written by MMmdl. 61 63 0 0 1 0 999 V2000 4.4834 1.2133 1.8758 C 0 3 0 0 0 0 4.0821 1.7813 0.5592 C 0 0 0 0 0 0 5.0207 1.9603 -0.4834 C 0 0 0 0 0 0 4.5841 2.3576 -1.7634 C 0 0 0 0 0 0 3.2079 2.5074 -2.0227 C 0 0 0 0 0 0 2.2681 2.3162 -0.9883 C 0 0 0 0 0 0 2.7207 2.0498 0.3188 C 0 0 0 0 0 0 0.7783 2.2393 -1.3006 C 0 0 0 0 0 0 0.1163 0.9463 -0.7448 C 0 0 1 0 0 0 -1.2913 0.7453 -1.3280 C 0 0 0 0 0 0 -1.3709 0.0126 -2.3161 O 0 0 0 0 0 0 -2.3795 1.2891 -0.7301 N 0 0 0 0 0 0 -2.3676 2.1731 0.4452 C 0 0 0 0 0 0 -3.0093 1.4550 1.6455 C 0 0 0 0 0 0 -4.4385 0.9839 1.3153 C 0 0 0 0 0 0 -4.4543 0.1789 0.0021 C 0 0 0 0 0 0 -3.7457 0.9300 -1.1398 C 0 0 0 0 0 0 -5.0543 0.1865 2.4730 C 0 0 0 0 0 0 0.9572 -0.2161 -1.0754 N 0 0 1 0 0 0 1.3486 -1.3646 0.1323 S 0 0 0 0 0 0 2.1902 -2.3762 -0.5162 O 0 0 0 0 0 0 1.8753 -0.6226 1.2921 O 0 0 0 0 0 0 -0.2394 -2.0884 0.5417 C 0 0 0 0 0 0 -0.7740 -1.9191 1.8338 C 0 0 0 0 0 0 -2.0399 -2.4566 2.1397 C 0 0 0 0 0 0 -2.7671 -3.1568 1.1538 C 0 0 0 0 0 0 -2.2259 -3.3193 -0.1395 C 0 0 0 0 0 0 -0.9587 -2.7861 -0.4469 C 0 0 0 0 0 0 -4.1344 -3.7236 1.4778 C 0 0 0 0 0 0 5.2554 0.0800 1.8071 N 0 0 0 0 0 0 4.0822 1.7763 2.9573 N 0 0 0 0 0 0 6.0745 1.7857 -0.3163 H 0 0 0 0 0 0 5.2971 2.4936 -2.5657 H 0 0 0 0 0 0 2.8784 2.7253 -3.0299 H 0 0 0 0 0 0 2.0060 1.9024 1.1162 H 0 0 0 0 0 0 0.2903 3.1250 -0.8926 H 0 0 0 0 0 0 0.6376 2.2901 -2.3823 H 0 0 0 0 0 0 0.0500 0.9963 0.3406 H 0 0 0 0 0 0 -1.3825 2.5489 0.7125 H 0 0 0 0 0 0 -2.9494 3.0652 0.2067 H 0 0 0 0 0 0 -3.0302 2.1231 2.5078 H 0 0 0 0 0 0 -2.3949 0.6008 1.9322 H 0 0 0 0 0 0 -5.0546 1.8723 1.1644 H 0 0 0 0 0 0 -5.4819 -0.0453 -0.2877 H 0 0 0 0 0 0 -3.9638 -0.7831 0.1510 H 0 0 0 0 0 0 -4.2942 1.8405 -1.3850 H 0 0 0 0 0 0 -3.7727 0.3206 -2.0451 H 0 0 0 0 0 0 -4.4890 -0.7225 2.6787 H 0 0 0 0 0 0 -5.0804 0.7772 3.3893 H 0 0 0 0 0 0 -6.0799 -0.1068 2.2455 H 0 0 0 0 0 0 0.5716 -0.6770 -1.9054 H 0 0 0 0 0 0 -0.2172 -1.3788 2.5845 H 0 0 0 0 0 0 -2.4527 -2.3276 3.1305 H 0 0 0 0 0 0 -2.7811 -3.8499 -0.9008 H 0 0 0 0 0 0 -0.5412 -2.9032 -1.4367 H 0 0 0 0 0 0 -4.3124 -4.6487 0.9283 H 0 0 0 0 0 0 -4.2271 -3.9443 2.5417 H 0 0 0 0 0 0 -4.9133 -3.0100 1.2072 H 0 0 0 0 0 0 5.3356 -0.3923 0.9170 H 0 0 0 0 0 0 5.4055 -0.5505 2.5761 H 0 0 0 0 0 0 4.4081 1.2983 3.7807 H 0 0 0 0 0 0 1 2 1 0 0 0 1 30 1 0 0 0 1 31 2 0 0 0 2 7 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 32 1 0 0 0 4 5 1 0 0 0 4 33 1 0 0 0 5 6 2 0 0 0 5 34 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 7 35 1 0 0 0 8 9 1 0 0 0 8 36 1 0 0 0 8 37 1 0 0 0 9 10 1 0 0 0 9 19 1 0 0 0 9 38 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 12 17 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 39 1 0 0 0 13 40 1 0 0 0 14 15 1 0 0 0 14 41 1 0 0 0 14 42 1 0 0 0 15 16 1 0 0 0 15 18 1 0 0 0 15 43 1 0 0 0 16 17 1 0 0 0 16 44 1 0 0 0 16 45 1 0 0 0 17 46 1 0 0 0 17 47 1 0 0 0 18 48 1 0 0 0 18 49 1 0 0 0 18 50 1 0 0 0 19 20 1 0 0 0 19 51 1 0 0 0 20 21 2 0 0 0 20 22 2 0 0 0 20 23 1 0 0 0 23 28 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 24 52 1 0 0 0 25 26 1 0 0 0 25 53 1 0 0 0 26 27 2 0 0 0 26 29 1 0 0 0 27 28 1 0 0 0 27 54 1 0 0 0 28 55 1 0 0 0 29 56 1 0 0 0 29 57 1 0 0 0 29 58 1 0 0 0 30 59 1 0 0 0 30 60 1 0 0 0 31 61 1 0 0 0 M CHG 1 1 1 M END > ZINC03834126 > 7 > CORINA 3.44 0027 09.01.2008 > 0.99 > 9_S_19_10_8_38 > -28.6889 > 9.64478e-05 > 1 $$$$