ZINC13815425 -OEChem-03292400493D 55 60 0 0 0 0 0 0 0999 V2000 -3.5895 -1.1203 -8.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1211 -1.9973 -9.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7928 -1.5091 -10.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9283 -0.1306 -10.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4005 0.7443 -9.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7301 0.2556 -8.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 1.1988 -7.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 2.5831 -7.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 3.4676 -7.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1087 3.0016 -5.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5705 3.8971 -5.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9145 3.4147 -3.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7714 2.0384 -3.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 1.1447 -4.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9622 1.6063 -5.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 0.7089 -6.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0425 1.5392 -2.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 2.0326 -1.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 2.0553 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 1.5619 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 2.0688 -2.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1536 0.0321 -1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 -0.4975 -1.2568 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 -0.0218 0.0093 -2.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3945 4.2836 -3.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3579 -2.4482 -11.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9413 -2.0233 -12.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0669 -1.4972 -7.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0154 -3.0621 -9.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4468 0.2478 -11.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5048 1.8094 -10.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8223 2.9483 -8.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9039 4.5289 -7.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 4.9622 -5.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1546 0.0847 -4.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -0.3561 -6.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7813 1.6553 -1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7734 3.1225 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5289 1.8773 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 3.1452 0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 1.6943 0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 1.9392 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 3.1587 -2.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 1.7172 -3.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6808 -0.3290 -0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6638 -0.3194 -2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5874 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 -0.3651 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 -0.3814 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4884 -0.3422 -3.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -0.3679 -2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 4.5479 -3.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2269 -3.7768 -11.4395 O 0 5 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 16 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 15 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 38 1 0 0 0 0 17 22 1 0 0 0 0 17 26 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 25 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 M CHG 1 55 -1 M END $$$$