B5S1QE -OEChem-04022101373D 41 43 0 1 0 0 0 0 0999 V2000 0.0498 2.3574 2.1623 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2785 -1.2962 -1.8776 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1329 -1.9074 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 -0.5245 0.5117 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1946 -0.7429 -0.8444 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0903 -1.4731 -1.3383 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0386 -2.4709 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7408 0.3794 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5771 -0.1435 -0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0048 -2.9023 1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9609 -1.7532 2.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8421 0.5352 -1.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0262 1.5966 0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7056 0.5496 -1.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8544 1.1138 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 2.2935 0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 1.7741 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 0.2568 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 2.3579 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -0.1171 1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9927 -1.4790 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -1.8463 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -2.6504 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 -3.4405 -0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6347 -2.2005 -2.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6056 -3.8199 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5599 -3.2096 0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 -2.4665 2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3134 -2.7268 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 -1.3010 3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8487 -1.1290 2.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0811 1.2824 -1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 0.3099 -2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3534 0.1553 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4232 3.2506 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8759 2.3321 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 0.8161 0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7358 -0.5931 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5148 -0.1227 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 2.9940 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4605 2.7792 0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 20 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 M END $$$$