BAT3I6 -OEChem-04042106163D 50 52 0 1 0 0 0 0 0999 V2000 6.0775 1.8619 0.9077 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6255 2.3381 2.4669 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4256 0.3138 2.3021 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4049 -2.8470 -0.2934 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -4.1914 0.7816 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 2.2245 0.0099 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9312 -2.1318 0.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1188 2.3765 0.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 1.0817 -1.9531 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 3.4041 -1.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5919 -0.4928 -0.1632 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7097 1.1840 0.3282 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3197 0.1945 0.0554 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2009 -0.2234 -1.3885 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3434 0.0028 -0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8944 1.0193 0.6607 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0132 -0.9867 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 -1.0426 -2.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 1.3911 1.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9472 2.1611 -1.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -0.3944 -0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 -2.2693 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3289 -1.0846 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -2.9596 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1462 -2.3672 0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7824 -1.0288 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9689 -0.1372 0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2509 -0.6231 0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5251 -2.0867 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7786 2.0016 0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0605 1.5155 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4127 1.7965 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 0.4008 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6679 -0.9232 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 0.6404 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 -0.4827 -3.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1877 -1.9951 -2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9472 -1.2595 -3.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5774 0.6009 -1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -2.9655 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 3.5391 -2.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7195 4.2269 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6459 0.4451 -0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3622 -2.5655 1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5728 -2.2622 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9172 -2.5708 -0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5654 3.0626 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1433 2.6096 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6544 1.1692 0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4875 1.2236 -1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 22 1 0 0 0 0 5 24 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 26 2 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 14 1 0 0 0 0 9 20 2 0 0 0 0 10 20 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 23 1 0 0 0 0 11 26 1 0 0 0 0 11 43 1 0 0 0 0 12 27 2 0 0 0 0 12 30 1 0 0 0 0 13 28 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 M END $$$$