BRW2T7 -OEChem-04022105472D 50 53 0 0 0 0 0 0 0999 V2000 10.4030 -0.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 1.0138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 2.0204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2593 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1311 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9952 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 2.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7953 2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6594 2.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0450 2.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6492 1.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7344 0.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5315 0.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5201 2.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7231 2.9905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2095 0.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6054 1.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1675 1.9880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3912 2.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5434 3.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 -0.1163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0630 2.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 1.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2571 2.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6570 3.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 -0.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 -1.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 26 1 0 0 0 0 2 50 1 0 0 0 0 3 28 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 15 22 1 0 0 0 0 16 21 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 42 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$