B1V7XZ -OEChem-04022108373D 52 55 0 1 0 0 0 0 0999 V2000 0.2281 0.1232 -2.6252 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1825 -1.1664 -1.5591 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2525 -1.4315 0.5338 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 1.5292 -0.9331 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7956 -2.7849 0.3137 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2895 -2.8854 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5177 -3.7430 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 1.4217 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 1.0647 -0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5856 1.1760 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2968 0.6631 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9303 -0.6993 -0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 -2.0793 1.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -3.7808 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4409 1.7336 -0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3144 0.4739 -1.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7151 0.5800 -1.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1629 2.0173 1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 1.2965 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 1.5331 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5859 0.2317 -2.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5328 0.8876 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7655 -2.1715 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7767 -3.8732 -0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 2.3661 2.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8129 3.0274 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5636 2.1245 1.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4652 -3.0684 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9088 2.1822 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0489 3.2521 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 -3.0711 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -1.0041 1.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2972 -3.5107 2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6033 -3.6746 1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2175 -4.7806 1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -1.3860 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1381 -4.4131 -1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 0.3809 -2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 2.2472 1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 1.2660 0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 1.3534 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 -0.2293 -3.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2119 0.0622 0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 -1.5477 2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3217 -4.5715 -0.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 2.8298 3.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1501 3.8676 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4422 2.3968 2.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -3.1397 0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8712 2.3572 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3417 4.2600 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 0.0978 -2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 52 1 0 0 0 0 2 12 2 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 32 1 0 0 0 0 4 15 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 31 1 0 0 0 0 6 13 2 0 0 0 0 6 14 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 2 0 0 0 0 9 16 2 0 0 0 0 9 19 1 0 0 0 0 10 17 1 0 0 0 0 10 20 2 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 22 2 0 0 0 0 13 23 1 0 0 0 0 13 36 1 0 0 0 0 14 24 2 0 0 0 0 14 37 1 0 0 0 0 15 26 2 0 0 0 0 16 21 1 0 0 0 0 17 21 2 0 0 0 0 17 38 1 0 0 0 0 18 25 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 27 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 29 1 0 0 0 0 22 43 1 0 0 0 0 23 28 2 0 0 0 0 23 44 1 0 0 0 0 24 28 1 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 25 46 1 0 0 0 0 26 30 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$