BW8RC2 -OEChem-04042105373D 42 44 0 1 0 0 0 0 0999 V2000 -0.0112 -0.1767 -0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 -3.1385 0.5806 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4416 1.4744 -0.2921 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8354 2.3960 0.4112 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 2.6025 -1.5791 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2402 0.3800 0.1267 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 -1.3238 -0.4016 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5271 -2.4159 0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 -2.8976 0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -1.7283 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3248 -0.4557 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3008 -0.8684 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 0.6249 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 -1.9100 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 0.4353 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 -0.8319 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6194 0.1753 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3061 -1.4924 -0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6813 1.9569 -0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9432 0.5950 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6299 -1.0728 -0.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9484 -0.0289 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 3.6950 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6394 4.0056 1.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -1.6973 -1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 -3.2605 0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 -2.0114 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9344 -3.5190 -0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2105 -3.5140 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1513 -0.9806 0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8567 0.6676 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0707 -2.3080 -1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1786 1.4073 1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4088 -1.5632 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 -3.0701 0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3506 1.1509 -0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0624 4.4404 0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3204 3.7083 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2777 1.1102 0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0907 4.9962 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0754 3.9705 2.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4379 3.2611 1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 14 1 0 0 0 0 2 35 1 0 0 0 0 3 15 1 0 0 0 0 3 36 1 0 0 0 0 4 19 1 0 0 0 0 4 23 1 0 0 0 0 5 19 2 0 0 0 0 6 22 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 16 2 0 0 0 0 15 16 1 0 0 0 0 16 30 1 0 0 0 0 17 20 1 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$