B85ICH -OEChem-04022102012D 42 45 0 0 0 0 0 0 0999 V2000 4.2690 -4.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4311 2.4884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1514 0.1184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.3954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1629 -2.9509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.4162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8602 2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9518 3.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0116 0.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9278 3.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7726 1.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2754 3.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1629 -0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2275 4.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 4.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5511 5.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -2.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 2.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3907 1.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 0.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 0.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9074 1.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0482 2.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 0.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6702 3.7298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8326 4.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1557 5.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7369 5.6277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6047 -2.7491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 31 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 14 2 0 0 0 0 4 24 1 0 0 0 0 5 17 1 0 0 0 0 5 24 2 0 0 0 0 6 25 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 16 2 0 0 0 0 12 30 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$