BES3I6 -OEChem-04012118482D 45 48 0 0 0 0 0 0 0999 V2000 9.2691 -0.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9339 1.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 -0.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 -1.4757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5998 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5986 -1.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5779 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2908 0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2470 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2967 0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9903 -0.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9599 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9017 -2.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8845 -2.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3444 -2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5485 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6151 0.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9811 -1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6072 1.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -0.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 2.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 -2.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7683 1.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0910 -2.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4643 -2.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9313 -2.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8067 -2.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7574 -1.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7424 -1.8235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1374 -1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3546 -0.6457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7969 -1.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 0.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0220 1.7966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 1.7508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8348 2.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4391 2.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 2.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4095 -1.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 -2.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 -1.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 22 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 2 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 19 2 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END $$$$