B6HOP7 -OEChem-04012116152D 42 45 0 1 0 0 0 0 0999 V2000 4.7565 3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 3.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.2243 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3147 -2.7757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.2757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.2243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -1.5804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7483 1.9301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 -3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.2188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 1.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 2.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4376 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8871 -3.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -2.6651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 -3.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 -4.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 -4.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 0.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 2.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 1.6789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.9252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -0.5468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -0.7194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -3.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 1.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 2.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -1.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3306 -0.7757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6276 4.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 42 1 0 0 0 0 2 21 2 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 9 1 0 0 0 0 4 18 1 0 0 0 0 4 37 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 6 17 2 0 0 0 0 6 20 1 0 0 0 0 7 23 2 0 0 0 0 8 24 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$