BRV52Z -OEChem-04022112043D 50 53 0 1 0 0 0 0 0999 V2000 -5.0240 -1.2320 1.7069 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -1.1358 -2.3376 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0589 -1.1077 -1.4582 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 -0.1544 0.4236 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8252 0.6133 2.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4146 -1.8571 -0.5107 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 -1.1182 0.4008 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9004 0.0303 0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6961 -2.2352 0.7148 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3928 -2.1148 -0.0924 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2882 -1.6332 -1.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4061 -0.8450 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8492 -0.2147 1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3398 -0.6904 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4801 0.3166 0.4171 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8537 1.7404 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2257 2.3912 -0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8263 2.4043 0.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 0.2027 1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5703 3.7058 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1709 3.7188 0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 4.3696 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 -0.0257 1.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4873 -0.4552 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8968 -1.7884 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 0.4783 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0146 -2.1880 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3133 0.0789 -1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7229 -1.2544 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9435 -3.2442 1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9068 -3.0757 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3533 -1.3576 -0.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5147 -0.1154 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2031 0.6400 0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6397 0.0982 1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 -0.7095 1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6049 0.1653 1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1356 -0.3071 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5245 1.8971 -1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 1.9082 1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 4.2116 -2.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 4.2355 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8119 5.3929 -0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1776 -0.6489 2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 1.0167 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 -2.5255 1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 1.5194 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -3.2262 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8645 0.8057 -1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5931 -1.5655 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 11 2 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 23 1 0 0 0 0 5 19 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 36 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 21 2 0 0 0 0 18 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$