BHUM76 -OEChem-04022104533D 47 48 0 1 0 0 0 0 0999 V2000 0.8864 -2.9960 -0.1511 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5413 0.9718 0.6940 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 4.7748 -1.1498 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -0.2143 1.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0457 3.4714 0.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1088 0.5981 -0.1961 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1874 -0.9855 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8027 -0.3198 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0523 1.5346 0.1566 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2908 0.8889 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6055 -1.4308 -1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2615 0.0030 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 -2.2443 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2976 0.1304 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0518 -0.1657 -1.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 0.7349 1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.4388 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 2.7964 -0.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -0.2013 0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 3.6899 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 -1.0840 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 -2.3761 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1158 -0.6204 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 -3.2047 -0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1275 -1.4490 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8249 -2.7412 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2361 1.8411 1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 -0.5829 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9125 -2.1718 -1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5978 -1.8985 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2607 0.9233 -0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1053 0.2888 1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2642 -0.4356 0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4241 -2.9559 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0201 -2.0058 1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1647 -2.7586 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8612 0.0228 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3953 -0.4981 -2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 1.0790 2.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2228 0.5457 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 3.3952 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 2.5288 -1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3654 0.5018 -1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1518 5.3514 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2921 -4.2143 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1571 -1.1035 -0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6127 -3.3864 -1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 20 1 0 0 0 0 3 44 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 6 43 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 14 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 27 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 17 2 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$