BA3GC5 -OEChem-04022101342D 86 91 0 1 0 0 0 0 0999 V2000 4.7684 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8987 3.9364 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7974 3.5328 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7946 10.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1004 10.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 6.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2813 5.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4767 7.7708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6356 9.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6846 8.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3788 8.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1709 7.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2198 7.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5256 7.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8436 10.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3177 6.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 6.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1588 5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2077 4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9019 4.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 5.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 4.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 6.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 5.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 3.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 3.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7109 3.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 7.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8691 4.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 8.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8636 5.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 9.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4514 4.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 8.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4624 4.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0247 7.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2726 6.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 9.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0447 3.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 9.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0501 3.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0247 10.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4889 4.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 8.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3076 6.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 9.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9199 5.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1749 9.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5983 9.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 8.7706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9536 8.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7073 8.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2572 6.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7905 7.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7313 6.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 6.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 8.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 7.4834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 5.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9373 6.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 6.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 10.9516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1866 7.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 6.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 6.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6852 5.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9966 3.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5342 3.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 2.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8617 8.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8457 3.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0175 7.3206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9024 6.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 10.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4091 2.8247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8617 9.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 2.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0175 10.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8475 3.8270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 8.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 6.6911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 9.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5367 5.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7684 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 86 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 3 20 1 0 0 0 0 3 28 1 0 0 0 0 4 15 1 0 0 0 0 4 63 1 0 0 0 0 5 15 2 0 0 0 0 6 23 1 0 0 0 0 6 29 1 0 0 0 0 7 24 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 6 0 0 0 9 49 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 16 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 16 17 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 18 2 0 0 0 0 17 62 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 27 2 0 0 0 0 25 68 1 0 0 0 0 26 28 2 0 0 0 0 26 69 1 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 29 31 1 0 0 0 0 29 35 2 0 0 0 0 30 32 1 0 0 0 0 30 36 2 0 0 0 0 31 33 1 0 0 0 0 31 37 2 0 0 0 0 32 34 1 0 0 0 0 32 38 2 0 0 0 0 33 39 1 0 0 0 0 33 43 2 0 0 0 0 34 40 1 0 0 0 0 34 44 2 0 0 0 0 35 41 1 0 0 0 0 35 72 1 0 0 0 0 36 42 1 0 0 0 0 36 73 1 0 0 0 0 37 45 1 0 0 0 0 37 74 1 0 0 0 0 38 46 1 0 0 0 0 38 75 1 0 0 0 0 39 41 2 0 0 0 0 39 76 1 0 0 0 0 40 42 2 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 42 79 1 0 0 0 0 43 47 1 0 0 0 0 43 80 1 0 0 0 0 44 48 1 0 0 0 0 44 81 1 0 0 0 0 45 47 2 0 0 0 0 45 82 1 0 0 0 0 46 48 2 0 0 0 0 46 83 1 0 0 0 0 47 84 1 0 0 0 0 48 85 1 0 0 0 0 M END $$$$