BR40CJ -OEChem-04012117012D 52 55 0 1 0 0 0 0 0999 V2000 6.3068 -1.9373 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 0.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 -1.2677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9777 -0.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1968 4.2094 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7074 2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3068 0.3096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9743 3.2344 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3318 -1.7148 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8980 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0886 -0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -2.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5293 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0886 -1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7195 -2.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9825 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0737 -3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9825 -1.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 2.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8886 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -3.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8886 -1.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8407 1.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4502 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 -4.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2857 3.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1076 2.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7157 -1.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4132 -0.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4132 -1.2004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1006 1.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8657 1.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9754 0.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6868 -3.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9754 -2.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4243 0.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -3.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4243 -1.6467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7027 1.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6767 -4.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0748 -4.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 4.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5152 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 3.7468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 -0.1103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7735 0.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4229 -0.5633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 11 2 0 0 0 0 3 28 1 0 0 0 0 3 32 1 0 0 0 0 4 28 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 20 2 0 0 0 0 16 21 1 0 0 0 0 16 25 2 0 0 0 0 17 23 2 0 0 0 0 17 28 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 26 1 0 0 0 0 19 39 1 0 0 0 0 20 24 1 0 0 0 0 20 40 1 0 0 0 0 21 29 2 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 27 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 30 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 29 31 1 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M CHG 2 5 -1 8 1 M END $$$$