B1IB2N -OEChem-04022103222D 46 49 0 1 0 0 0 0 0999 V2000 3.4075 -0.3438 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9177 2.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -1.8405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6609 0.2052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6609 1.2052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7948 -0.2948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 0.2052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7948 1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 -0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8109 -1.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1907 0.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6609 2.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0188 -0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9129 -1.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 -1.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0754 -1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1441 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -1.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7508 -0.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5342 -0.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6649 0.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1934 2.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3963 2.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3560 -0.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1445 -0.4088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7168 1.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 1.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0289 -1.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 -1.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6516 0.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6516 1.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2809 2.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6609 2.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0409 2.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5156 -2.3400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3138 -2.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1039 0.8823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -2.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 0.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -2.4604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 13 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 6 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 1 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 1 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 26 1 6 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 M END $$$$