BXS3A1 -OEChem-04022106233D 60 63 0 1 0 0 0 0 0999 V2000 5.7969 -0.9283 -2.0867 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6889 0.4849 -0.6822 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0916 -1.6466 -0.4823 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1249 1.4887 -0.0703 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 1.8484 -1.7767 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4064 1.8764 -2.4575 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4194 3.8020 -2.6971 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3498 0.1505 1.4216 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.3529 0.3693 0.5757 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 0.7286 -0.6953 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0434 -0.9902 1.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3796 -0.7344 1.4725 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0935 3.5135 -0.2588 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1195 -1.4099 -0.0626 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5908 -0.2533 0.3651 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1170 0.3098 1.6312 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1089 -0.6397 2.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 0.1726 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 -1.1383 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5769 1.7257 1.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5063 -1.4872 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9382 -0.8870 0.1246 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3743 -2.3256 -0.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 -1.7072 -1.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 1.9737 0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 2.7753 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -2.8676 -1.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1361 -0.7428 -0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 -2.5628 -2.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6814 -2.6569 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 3.2714 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 4.0730 2.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5871 4.3210 1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7848 -1.8632 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8349 -3.7701 0.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0419 -2.1830 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0919 -4.0899 1.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1954 -3.2964 1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6944 2.4201 -0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 2.9119 -1.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0906 -0.0364 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9686 0.3581 2.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6025 -1.5648 2.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 -0.1845 3.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 1.1184 0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7968 0.3943 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5482 -1.9052 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0767 -1.5007 -2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0443 1.1439 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0416 2.5990 2.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 -3.5282 -2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5526 -2.9844 -3.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1599 4.8904 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6493 -1.0121 2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 5.3339 1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 -1.0000 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9849 -4.3989 1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2115 -4.9566 2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1722 -3.5503 1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6329 3.3873 -1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 39 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 9 41 1 0 0 0 0 10 41 1 0 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 54 1 0 0 0 0 13 31 1 0 0 0 0 13 39 1 0 0 0 0 14 36 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 22 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 23 2 0 0 0 0 22 28 1 0 0 0 0 22 47 1 0 0 0 0 23 27 1 0 0 0 0 23 30 1 0 0 0 0 24 29 1 0 0 0 0 24 48 1 0 0 0 0 25 31 1 0 0 0 0 25 49 1 0 0 0 0 26 32 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 29 52 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 33 55 1 0 0 0 0 34 36 1 0 0 0 0 34 56 1 0 0 0 0 35 37 2 0 0 0 0 35 57 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 39 40 1 0 0 0 0 40 60 1 0 0 0 0 M END $$$$