BWAL85 -OEChem-04022101533D 54 58 0 0 0 0 0 0 0999 V2000 -9.3972 0.6555 -0.6464 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0959 1.3434 -0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6468 0.5552 -0.0768 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1864 -0.1717 0.8754 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -2.2600 -0.1121 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3215 -1.1712 -0.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4567 0.5796 0.7084 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1128 0.9275 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5998 -0.2280 0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5066 1.5391 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9670 0.4460 0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2805 0.3741 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4467 -0.0704 -0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 0.6376 1.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 0.0125 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0842 -0.2512 -0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3892 0.4569 1.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2291 -1.0602 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -0.6335 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0254 -1.5187 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 0.0450 0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0723 0.3806 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -2.7585 -0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 0.9076 0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2489 -3.0831 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 1.4875 -0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0323 -0.4024 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8166 1.8111 -0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3844 -0.0788 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7765 1.0279 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0241 0.5003 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1525 0.0305 -2.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4401 1.6563 -1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6739 -1.2328 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2784 -0.3360 1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4857 2.5054 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9048 1.7111 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7063 -0.1924 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9487 1.4055 1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8262 -0.2958 -1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3827 0.9971 2.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4539 -0.5882 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9895 0.6676 2.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8363 0.3212 1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -3.4700 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 1.8898 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 -4.0433 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7327 2.1078 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7444 -1.2671 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1164 2.6736 -1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0769 -0.7290 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0255 0.8976 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0031 -0.5216 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8746 0.5308 1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 4 44 1 0 0 0 0 5 18 2 0 0 0 0 5 25 1 0 0 0 0 6 20 2 0 0 0 0 6 21 1 0 0 0 0 7 19 2 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 14 17 2 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$