B6V3TB -OEChem-04022103282D 45 48 0 1 0 0 0 0 0999 V2000 8.5125 0.0121 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9766 1.0121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9862 -3.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2445 -1.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1144 -1.5154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6168 0.5948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 -1.9879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0271 -0.3172 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5304 -1.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 -0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2024 -1.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 -2.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8464 -1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7525 -2.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8464 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6464 -1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6464 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7525 0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3785 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3785 -1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2445 0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2445 1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1106 1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3785 1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1106 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3785 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2445 3.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4154 0.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 -0.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 -1.6475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 -0.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0685 0.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7022 -2.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 -2.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 1.0978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7597 -2.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3107 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7597 0.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 -2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7815 -0.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8416 1.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6475 2.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8416 2.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2445 3.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 23 1 0 0 0 0 3 12 2 0 0 0 0 4 20 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$