BBN8M6 -OEChem-04012112442D 80 83 0 1 0 0 0 0 0999 V2000 8.9030 0.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9543 2.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9386 3.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 0.1249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.6999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.7218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 1.8049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2297 1.3023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 1.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 2.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 2.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -1.2380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2601 -1.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -2.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6388 -2.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.0444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -3.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -2.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2809 2.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2314 2.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -3.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9735 3.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0414 2.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2740 0.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6452 2.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8096 1.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8590 0.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4523 1.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4822 3.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8890 2.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6961 1.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5317 2.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0077 3.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 3.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9634 -0.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6957 -1.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2807 -1.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8740 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -1.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 -2.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 -3.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -0.5449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.0745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -1.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7388 -3.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1355 -4.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9175 -4.0760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7452 -3.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2240 -2.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4895 -2.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0717 1.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -3.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -4.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 -3.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5635 3.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7830 4.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3835 3.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4565 2.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 21 2 0 0 0 0 3 39 1 0 0 0 0 3 80 1 0 0 0 0 4 39 2 0 0 0 0 5 10 1 0 0 0 0 5 19 1 0 0 0 0 5 51 1 0 0 0 0 6 21 1 0 0 0 0 22 6 1 6 0 0 0 6 61 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 35 1 0 0 0 0 8 27 1 0 0 0 0 8 31 1 0 0 0 0 8 69 1 0 0 0 0 9 27 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 1 0 0 0 16 21 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 57 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 28 1 0 0 0 0 24 29 2 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 29 68 1 0 0 0 0 30 34 2 0 0 0 0 31 33 2 0 0 0 0 31 38 1 0 0 0 0 32 36 1 0 0 0 0 32 70 1 0 0 0 0 33 39 1 0 0 0 0 34 37 1 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 37 2 0 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 M END $$$$