B16COD -OEChem-04012115092D 83 85 0 0 0 0 0 0 0999 V2000 5.2132 -5.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 2.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -7.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 6.3205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 0.4108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 3.0844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2132 -1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2132 -1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0223 0.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7132 -0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 -2.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3472 -2.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 -2.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3472 -3.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 -3.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -4.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1254 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4812 -4.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9453 -7.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 -5.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 -6.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8113 -7.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4453 -8.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4453 -6.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 3.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 3.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 4.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 4.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 5.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 5.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 7.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 8.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -1.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -1.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3209 -0.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6306 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6119 0.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2502 -0.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0232 0.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1763 -0.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1763 -1.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 -2.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2502 -2.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 -2.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 -0.2799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7442 -0.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -2.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 1.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -3.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 1.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2493 1.1858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2952 0.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1712 -3.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9442 -4.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 -4.7139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1488 3.1492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6898 -5.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2913 -5.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -8.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 -7.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1213 -7.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9084 -7.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1353 -8.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9822 -8.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9822 -6.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -5.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9084 -6.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6977 3.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 4.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 4.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 6.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1018 6.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0185 7.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 8.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 8.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 7.6786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 27 1 0 0 0 0 2 24 2 0 0 0 0 3 28 2 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 24 1 0 0 0 0 6 32 1 0 0 0 0 6 63 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 14 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 16 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 19 2 0 0 0 0 15 24 1 0 0 0 0 16 20 1 0 0 0 0 16 51 1 0 0 0 0 17 23 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 21 2 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 75 1 0 0 0 0 34 36 2 0 0 0 0 34 76 1 0 0 0 0 35 37 2 0 0 0 0 35 77 1 0 0 0 0 36 37 1 0 0 0 0 36 78 1 0 0 0 0 38 39 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 M END $$$$