ZINC03983347 -OEChem-08230709443D 54 57 0 0 0 0 0 0 0999 V2000 7.4035 0.0618 -1.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1722 1.3890 -0.7532 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9815 1.8972 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2241 3.1127 0.1447 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4662 3.3976 -0.0214 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0930 2.3808 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8039 2.3083 -0.9852 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3287 3.9536 -0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8026 4.1232 -0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4357 3.2206 -1.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4736 5.3841 -0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7456 6.4295 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3826 7.6059 0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7363 7.7579 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4625 6.7299 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8412 5.5453 -0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4110 9.0262 0.6688 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7750 9.9330 1.1756 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6022 9.1632 0.4551 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6763 1.2030 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 0.0858 -1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2477 -0.5601 -1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -0.1081 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4286 1.0061 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 1.6620 0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 1.4623 1.3893 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2431 2.7831 1.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 3.5720 1.1611 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 3.2715 2.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 2.3688 2.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 2.8310 3.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 4.1878 3.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1405 5.0894 3.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0629 4.6407 2.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8328 5.5223 2.1409 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 0.0771 -2.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4521 -0.2095 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7771 -0.6698 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8173 4.6494 -0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1361 4.0634 0.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6884 6.3141 0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8229 8.4124 1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5185 6.8561 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4093 4.7439 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2591 -0.2725 -1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0877 -1.4240 -1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2813 -0.6204 -0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8063 2.5254 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 0.8280 1.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 1.3103 2.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 2.1329 4.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8974 4.5433 4.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2659 6.1463 3.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1279 8.7555 -0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 25 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 34 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 35 1 0 0 0 0 17 54 1 0 0 0 0 M CHG 1 19 -1 M END > ZINC03983347 $$$$ ZINC03983409 -OEChem-08230709443D 57 60 0 0 0 0 0 0 0999 V2000 -2.2345 3.7833 -6.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3109 4.9662 -5.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 5.8310 -7.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2854 6.9178 -6.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 7.1453 -5.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2144 6.2910 -4.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 5.1896 -4.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 4.2675 -3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6445 3.3749 -3.6798 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 4.4163 -2.4952 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3123 3.5947 -1.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7394 3.2496 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5161 2.4376 0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 1.9638 0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 2.3088 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 3.1240 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1774 1.8076 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 0.6815 0.8684 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7604 0.5621 0.9524 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3478 1.6055 0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3619 2.4364 -0.0399 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5304 3.7269 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0838 1.8833 0.2916 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.6978 0.3828 1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2046 0.4015 1.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8042 1.3370 0.6258 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9485 -0.7155 1.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2607 -1.7990 2.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9647 -2.8393 2.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3485 -2.8186 2.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0365 -1.7525 2.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3468 -0.7019 1.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0966 -3.9423 3.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4944 -4.8821 3.9454 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3145 -3.9272 3.4701 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2089 4.0322 -5.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 3.5313 -7.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8153 2.9308 -5.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 5.6593 -7.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1492 7.5919 -7.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0468 7.9958 -5.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7372 6.4718 -3.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 5.0933 -2.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7342 3.6177 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 2.1726 1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9232 1.3297 1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4084 3.3912 -1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4687 3.5852 -1.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5035 4.1459 -0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7445 4.4100 -0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3793 -0.4200 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3248 0.3408 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1809 -1.8186 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4350 -3.6745 3.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1164 -1.7436 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8851 0.1296 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0825 -3.7572 2.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 7 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 47 1 0 0 0 0 17 21 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 32 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 33 57 1 0 0 0 0 M CHG 1 35 -1 M END > ZINC03983409 $$$$