B8JY9W -OEChem-04022112313D 81 85 0 1 0 0 0 0 0999 V2000 -2.9999 -0.5371 -0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3217 1.9183 1.3726 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 0.2891 1.5292 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 3.2976 -0.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8824 2.9665 1.8702 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9642 -0.3136 -1.0757 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5972 -0.9033 -0.3312 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7847 0.7514 -1.3606 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0699 -1.4734 -2.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1805 -1.5936 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0743 -1.4547 -0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1939 -0.2370 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9604 0.7474 -1.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6886 0.0896 -1.5434 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4778 -1.4677 -1.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2145 -0.9577 -2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9158 -0.2525 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1835 -2.6717 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5793 -2.0347 1.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6097 0.8426 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9695 0.9074 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -0.1497 -0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7549 -0.3119 -1.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3548 0.4077 0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4202 -2.9049 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2826 -0.6514 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -2.0448 0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7193 -2.1106 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5427 0.0353 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9224 0.6410 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5633 0.0835 -1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 0.8031 1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3489 1.0664 0.4561 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1496 0.1249 0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9713 -0.4754 1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 -2.6400 1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 -1.8569 1.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5074 -0.5880 -1.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4672 2.5382 0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1594 4.7138 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6859 5.4067 -1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5262 -1.4020 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4858 -2.3795 -0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8107 1.1126 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2648 1.5750 -1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 0.8324 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -2.2855 -1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1916 -1.8263 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5079 -1.7704 -2.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4807 -0.4853 -3.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6080 -0.2966 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5022 -0.0231 -0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9861 -2.7959 0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6911 -3.6427 -0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6487 -2.4086 -1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3620 -2.1474 2.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8495 -1.3163 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0699 -3.0007 1.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 1.7270 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0183 -0.7533 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0977 0.5359 1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4752 -3.7517 1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2922 -3.3059 -0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9276 -1.8246 1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5543 -2.7414 0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2643 0.6649 -0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9135 0.6798 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2999 -0.0519 -1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 1.2330 2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 0.9152 -0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 1.2048 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9722 -3.7179 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 -2.3308 1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4452 1.1045 -2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4319 1.4237 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7177 -0.9920 -2.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5294 5.0119 0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 4.9901 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2953 5.1045 -2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 5.1253 -1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7407 6.4936 -1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 22 1 0 0 0 0 2 21 2 0 0 0 0 3 33 1 0 0 0 0 3 35 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 39 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 38 1 0 0 0 0 8 38 1 0 0 0 0 8 74 1 0 0 0 0 8 75 1 0 0 0 0 9 38 2 0 0 0 0 9 76 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 20 2 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 20 59 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 31 1 0 0 0 0 23 60 1 0 0 0 0 24 32 2 0 0 0 0 24 61 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 26 34 1 0 0 0 0 27 36 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 33 39 1 0 0 0 0 33 70 1 0 0 0 0 34 35 2 0 0 0 0 34 71 1 0 0 0 0 35 37 1 0 0 0 0 36 37 2 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 40 41 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 M END $$$$