B7M3TG -OEChem-04022101342D 83 86 0 1 0 0 0 0 0999 V2000 6.9397 0.0000 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 7.0121 10.5389 0.0000 S 0 3 3 0 0 0 0 0 0 0 0 0 4.4775 8.7744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 11.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 9.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 9.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9562 7.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3550 11.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 7.5165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 5.9071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.7118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.2118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.7118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7819 6.5079 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5287 10.0851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9395 9.2771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4792 9.7744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5259 8.4670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2892 10.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 6.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9249 10.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7350 10.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9093 11.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6478 10.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 7.9109 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6635 8.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7506 9.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6791 7.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4578 10.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4735 9.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3707 10.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6948 6.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9719 5.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7976 5.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9875 4.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7104 4.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1651 12.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0903 3.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8132 3.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0032 3.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 10.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 8.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 9.4920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 8.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6368 10.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 10.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 11.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 9.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 6.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 9.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3702 9.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0826 11.2303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2897 11.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 11.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8456 12.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2926 11.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2003 8.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2484 8.9504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2975 7.4583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8301 8.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 4.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0394 9.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8729 10.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3132 6.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8458 6.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6083 6.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4697 5.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3354 5.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 6.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4216 4.7716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2126 5.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5286 11.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6673 12.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8015 12.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5881 3.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3792 3.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0669 2.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 2 23 1 0 0 0 0 2 26 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 15 4 1 6 0 0 0 4 51 1 0 0 0 0 16 5 1 6 0 0 0 5 52 1 0 0 0 0 6 19 1 0 0 0 0 7 29 1 0 0 0 0 7 75 1 0 0 0 0 8 33 1 0 0 0 0 8 41 1 0 0 0 0 18 9 1 1 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 21 2 0 0 0 0 10 22 1 0 0 0 0 11 20 2 0 0 0 0 11 28 1 0 0 0 0 12 24 1 0 0 0 0 12 28 2 0 0 0 0 13 24 1 0 0 0 0 13 66 1 0 0 0 0 13 67 1 0 0 0 0 14 32 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 1 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 21 53 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 31 1 0 0 0 0 27 33 2 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 29 62 1 0 0 0 0 30 31 2 0 0 0 0 30 34 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 35 1 0 0 0 0 34 35 2 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 36 38 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 42 1 0 0 0 0 39 76 1 0 0 0 0 40 43 2 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 44 2 0 0 0 0 42 81 1 0 0 0 0 43 44 1 0 0 0 0 43 82 1 0 0 0 0 44 83 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$