BWTQ12 -OEChem-04022112223D 40 40 0 0 0 0 0 0 0999 V2000 2.1631 1.3573 0.1048 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0234 -0.2218 1.6488 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6333 0.2250 -0.5981 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 -0.7267 -0.1642 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5105 -0.9100 0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6866 -0.3050 -0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8602 0.6709 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 0.4124 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2002 -0.0524 -0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8197 -0.5674 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3681 0.9305 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1396 0.1484 -0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 -0.4171 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3491 -0.2895 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5462 -1.4271 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9822 0.8980 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 -1.1220 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 1.2032 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 0.1932 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7053 -0.8055 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 -1.0839 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 1.4375 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8302 1.1869 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2357 1.1821 -1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 0.9307 0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3049 -0.8065 0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2267 -0.5918 -1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8486 -1.0580 -1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7117 -1.3414 0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3767 1.4612 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3017 1.6671 -1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9941 0.0995 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 -1.7077 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 -2.4561 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3005 1.7328 0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6442 -1.9083 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 2.2270 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3446 0.4309 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7630 -0.9561 -0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1478 -1.3398 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 14 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 33 1 0 0 0 0 5 14 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 M END $$$$