BXVA98 -OEChem-04042102573D 40 42 0 0 0 0 0 0 0999 V2000 3.8522 2.6011 0.0026 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8291 1.1306 0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5319 -2.3782 -0.2012 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5025 1.7401 0.6772 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2909 -1.9675 -0.1004 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -0.2097 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0941 -1.1057 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8269 -1.3904 -1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6254 -1.4779 1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 -2.7966 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2302 -2.8839 1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1456 -3.0930 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 0.3731 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 0.7558 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4901 1.3891 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 -1.5652 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 2.1060 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 2.7365 0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2187 3.0948 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6438 1.6774 -0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0839 1.2636 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6714 -0.7072 -1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2681 -1.2515 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -1.4045 2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 -0.7821 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6502 -3.5451 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -2.8934 -2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 -3.0431 2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4334 -3.6367 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0228 -2.4407 0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5153 -4.1246 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1352 -2.9694 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8004 0.1148 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 3.5252 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 4.1472 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6003 2.7718 -0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3038 1.3362 -1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1863 0.1738 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7437 1.6828 -1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8983 1.3666 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 16 2 0 0 0 0 4 21 1 0 0 0 0 4 40 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 32 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$