BBZQ31 -OEChem-04022117523D 86 90 0 0 0 0 0 0 0999 V2000 6.1133 -2.2939 0.0332 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1125 2.2927 0.0343 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8155 2.5429 0.0335 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8165 -2.5463 0.0356 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9508 -0.5114 0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9515 0.5135 0.0199 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1128 -0.1689 0.0336 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0944 0.1710 0.0348 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 -0.0443 1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0115 -1.2880 -0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0113 1.2911 -0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3100 0.0467 1.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4641 1.4800 1.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3716 -0.5897 -0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3720 0.5941 -0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4670 -1.4776 1.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6243 2.0704 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3712 0.7396 -1.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3726 -0.7352 -1.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6273 -2.0669 0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5127 1.8726 -0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5152 -1.8690 -0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 -1.2722 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7011 1.2733 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5044 -0.3262 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5052 0.3262 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1747 -1.0689 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1749 1.0677 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 -0.4670 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7301 0.4636 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 0.2741 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4259 -0.2775 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9984 -1.0555 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9992 1.0521 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7939 0.5682 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7946 -0.5715 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 1.3765 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4427 -1.3799 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3035 -1.7937 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3042 1.7904 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 -2.0912 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9412 2.0878 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5293 -0.2982 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2134 -0.5273 1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1571 -2.2405 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6932 -1.5378 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1561 2.2437 -0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6924 1.5407 -1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5305 0.2997 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2144 0.5305 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5262 1.9505 1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6031 1.7799 2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8243 -0.4602 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0479 -1.2719 -1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8250 0.4648 0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0476 1.2769 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5294 -1.9488 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6065 -1.7774 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6219 3.1515 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5840 1.7045 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4103 1.0918 -1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0698 0.5651 -2.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4119 -1.0865 -1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0708 -0.5608 -2.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6260 -3.1480 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5869 -1.7002 0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4665 1.7508 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8445 2.7976 -1.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4688 -1.7481 -1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8477 -2.7937 -1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6612 -1.9811 0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6192 -1.8837 -0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6608 1.9820 0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6184 1.8848 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5346 0.3192 -0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5200 0.3198 0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5343 -0.3190 -0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5202 -0.3200 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3397 0.8233 0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 -0.8205 0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 1.5998 0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1383 -1.6035 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 -2.6466 0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9674 2.6439 0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6326 -3.1335 0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 3.1302 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 2 28 2 0 0 0 0 3 37 2 0 0 0 0 4 38 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 27 1 0 0 0 0 7 29 1 0 0 0 0 7 79 1 0 0 0 0 8 28 1 0 0 0 0 8 30 1 0 0 0 0 8 80 1 0 0 0 0 9 13 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 14 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 15 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 16 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 17 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 18 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 19 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 20 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 21 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 21 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 22 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 22 1 0 0 0 0 20 65 1 0 0 0 0 20 66 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 25 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 26 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 27 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 28 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 29 35 2 0 0 0 0 29 39 1 0 0 0 0 30 36 2 0 0 0 0 30 40 1 0 0 0 0 31 33 2 0 0 0 0 31 35 1 0 0 0 0 31 37 1 0 0 0 0 32 34 2 0 0 0 0 32 36 1 0 0 0 0 32 38 1 0 0 0 0 33 38 1 0 0 0 0 33 41 1 0 0 0 0 34 37 1 0 0 0 0 34 42 1 0 0 0 0 35 81 1 0 0 0 0 36 82 1 0 0 0 0 39 41 2 0 0 0 0 39 83 1 0 0 0 0 40 42 2 0 0 0 0 40 84 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 M END $$$$