BRS78Q -OEChem-04022106443D 31 32 0 1 0 0 0 0 0999 V2000 0.6610 -1.4391 0.9009 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3287 -0.8170 1.3703 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4112 -0.6245 -0.9961 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2165 2.5216 1.3419 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4477 -3.4823 -0.9066 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6639 -0.1768 1.1757 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4659 0.5412 -1.1085 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2688 1.6518 -0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7572 0.1790 -0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 0.8215 -2.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4398 1.1824 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5543 -0.1995 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2988 3.0246 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 -0.8096 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9338 0.8305 -0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9934 -1.1467 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1401 0.4936 -0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 -1.0310 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -0.4951 0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4157 1.9181 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -2.3828 -0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7267 -0.5599 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2763 0.8907 -3.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 1.7548 -2.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.0016 -3.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2188 3.0092 0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3948 3.7102 0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 3.4476 -1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9534 1.6220 -1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0165 -1.9156 1.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 1.0044 -0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 19 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 4 20 3 0 0 0 0 5 21 3 0 0 0 0 6 22 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 18 2 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 M END $$$$