B5JKC7 -OEChem-04012117322D 40 42 0 0 0 0 0 0 0999 V2000 3.9538 3.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 1.6639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.6149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.7287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2628 0.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 1.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 2.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4345 2.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7612 0.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6272 0.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7644 1.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 3.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 0.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 -0.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -0.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 -2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 -2.3269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -1.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 11 1 0 0 0 0 4 29 1 0 0 0 0 5 17 2 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$