B1GTI8 -OEChem-04022105442D 44 47 0 1 0 0 0 0 0999 V2000 4.3061 1.8905 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7029 2.1117 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 0.7149 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9396 1.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3374 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 -1.1595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.4937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3364 -0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -1.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -1.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1151 1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -1.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -1.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 -0.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6814 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3987 -2.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3534 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9867 0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3307 -1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 -0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -2.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 0.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -2.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 1.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 -2.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -0.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -2.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 -1.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2094 -2.7021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9891 -2.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1641 -2.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5701 0.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7473 -1.9358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1534 0.8065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2420 -0.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 33 1 0 0 0 0 5 21 2 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 16 2 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 18 2 0 0 0 0 14 30 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$