BBQ15I -OEChem-04022101473D 53 56 0 0 0 0 0 0 0999 V2000 1.7081 1.5697 1.3805 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8102 -1.3223 -1.3473 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7603 1.7769 -2.1666 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0959 2.5529 -0.9786 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 1.1867 -0.0668 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4469 -1.7926 0.9098 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -2.1484 -1.1623 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9642 1.9945 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8027 2.8224 1.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1361 0.4450 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3546 0.8888 1.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6598 2.3256 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4719 2.5482 0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4405 0.1141 1.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 1.5508 -0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -0.3582 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8544 2.9781 -0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3097 0.2279 -0.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3027 -1.7187 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 1.8045 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3960 -0.5466 -1.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3891 -2.4934 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4357 -1.9072 -1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8426 1.1934 -1.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 0.3675 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3278 -2.1624 1.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -2.5071 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 -1.8082 -0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -2.5333 0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3925 -2.1579 3.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -2.8909 -1.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0568 3.8852 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 2.6946 2.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 0.6222 2.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3655 3.1830 -0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7261 -0.7192 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2381 1.8295 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2639 3.6112 -1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3375 1.2887 -1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4972 -2.2250 0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2146 -0.0895 -1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4173 -3.5543 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0744 0.6654 0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2815 -2.5102 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 0.8040 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2585 0.3732 0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2723 -2.8245 1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 -1.4706 3.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3783 -1.8340 3.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2082 -3.1630 3.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 -3.9212 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -2.8239 -2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1351 -2.2225 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 20 1 0 0 0 0 2 25 1 0 0 0 0 2 28 1 0 0 0 0 3 24 2 0 0 0 0 4 17 1 0 0 0 0 4 20 2 0 0 0 0 5 20 1 0 0 0 0 5 24 1 0 0 0 0 5 43 1 0 0 0 0 6 26 2 0 0 0 0 6 28 1 0 0 0 0 7 27 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 12 35 1 0 0 0 0 13 17 2 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 38 1 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 19 22 2 0 0 0 0 19 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$