BS5B0K -OEChem-04022116003D 42 44 0 0 0 0 0 0 0999 V2000 -2.8907 -2.5891 -1.4915 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8276 -1.9059 -1.4255 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6865 -2.9202 0.2884 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8274 2.6838 0.1582 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.6765 1.6515 -1.7494 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.5352 0.6370 -0.0356 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1036 1.6037 -1.1913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1687 -0.1245 -0.0383 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1688 0.5802 0.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5139 1.9689 0.9944 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6359 0.0747 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3188 -0.3769 1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0645 -0.4666 0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4345 -0.6886 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7948 -0.0303 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 1.2948 1.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3758 -0.4330 -1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1628 -1.1599 2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7011 -0.2315 -0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1692 0.9886 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2205 -1.2496 1.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 1.7518 0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1067 -1.5964 2.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9664 -2.0009 -0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5957 0.1079 -1.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0376 0.7191 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 -1.1995 -2.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5234 1.4776 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2643 1.4331 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6689 0.5952 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 1.9032 1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0204 -1.4400 2.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3353 -0.8146 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2017 -1.6028 2.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 2.7047 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2279 -2.2072 3.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0903 0.0639 -2.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 -2.0757 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -0.5738 -2.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8994 -1.5657 -3.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3661 2.4858 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8584 1.8606 1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 28 1 0 0 0 0 7 29 2 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 26 2 0 0 0 0 10 29 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 21 2 0 0 0 0 14 19 1 0 0 0 0 14 24 1 0 0 0 0 15 30 1 0 0 0 0 16 22 2 0 0 0 0 16 31 1 0 0 0 0 17 25 2 0 0 0 0 17 27 1 0 0 0 0 18 23 2 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 26 29 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$