BJ1W4Y -OEChem-04022105042D 112115 0 1 0 0 0 0 0999 V2000 11.2229 -1.4767 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5478 -7.5645 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1459 -2.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3872 4.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7438 0.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 0.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 4.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2799 -3.5645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0119 -4.5645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5627 2.7104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9859 3.3104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7328 1.1969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6049 -1.4767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 0.5697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 3.1013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.4483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -1.1528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8780 -3.0645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0119 -3.5645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7440 -3.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4139 -3.0645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1459 -3.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8780 -2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5478 -3.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 2.6059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1615 1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6100 -3.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4139 -2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1669 1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9804 3.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5478 -4.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3981 4.1194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1450 2.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 5.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1505 1.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9139 -0.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7602 0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3261 0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7273 1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9139 -0.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4139 -5.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6818 -5.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2171 5.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4036 4.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1341 2.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4139 -6.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6818 -6.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5478 -6.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6238 6.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2225 5.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1286 2.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5463 3.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 7.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6348 6.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0415 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5353 3.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9530 3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9475 4.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3410 -2.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5489 -3.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3455 -4.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1425 -4.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4139 -3.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4980 -2.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8780 -1.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2580 -2.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2799 -4.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9326 2.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3358 -2.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9373 -3.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 1.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 1.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9200 -3.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1470 -2.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3000 -2.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5489 -4.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 -4.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 2.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5654 1.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8149 3.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1459 3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7023 2.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9741 2.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7337 2.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3188 4.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2355 5.4789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 0.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3618 0.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6841 0.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3289 1.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2783 -0.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9508 -4.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1449 -4.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9508 -6.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1449 -6.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2404 6.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9704 5.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4930 1.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9297 2.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 3.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3613 2.5997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 8.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 6.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 7.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1519 3.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5886 4.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1997 4.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -1.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 -1.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5633 -1.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 40 1 0 0 0 0 2 48 1 0 0 0 0 3 22 2 0 0 0 0 4 30 2 0 0 0 0 5 35 2 0 0 0 0 6 38 2 0 0 0 0 7 44 2 0 0 0 0 21 8 1 1 0 0 0 8 22 1 0 0 0 0 8 68 1 0 0 0 0 19 9 1 6 0 0 0 9 77 1 0 0 0 0 9 78 1 0 0 0 0 25 10 1 1 0 0 0 10 35 1 0 0 0 0 10 81 1 0 0 0 0 11 30 1 0 0 0 0 32 11 1 6 0 0 0 11 85 1 0 0 0 0 12 33 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 28 2 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 55 2 0 0 0 0 15 44 1 0 0 0 0 15101 1 0 0 0 0 15102 1 0 0 0 0 16 55 1 0 0 0 0 16109 1 0 0 0 0 16110 1 0 0 0 0 17 55 1 0 0 0 0 17111 1 0 0 0 0 17112 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 6 0 0 0 18 60 1 0 0 0 0 19 22 1 0 0 0 0 19 61 1 0 0 0 0 20 27 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 24 1 0 0 0 0 21 28 1 0 0 0 0 21 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 31 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 25 69 1 0 0 0 0 26 29 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 29 37 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 31 41 2 0 0 0 0 31 42 1 0 0 0 0 32 34 1 0 0 0 0 32 44 1 0 0 0 0 32 82 1 0 0 0 0 33 35 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 43 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 36 38 1 0 0 0 0 36 40 2 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 39 45 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 92 1 0 0 0 0 41 46 1 0 0 0 0 41 93 1 0 0 0 0 42 47 2 0 0 0 0 42 94 1 0 0 0 0 43 49 2 0 0 0 0 43 50 1 0 0 0 0 45 51 2 0 0 0 0 45 52 1 0 0 0 0 46 48 2 0 0 0 0 46 95 1 0 0 0 0 47 48 1 0 0 0 0 47 96 1 0 0 0 0 49 53 1 0 0 0 0 49 97 1 0 0 0 0 50 54 2 0 0 0 0 50 98 1 0 0 0 0 51 57 1 0 0 0 0 51 99 1 0 0 0 0 52 58 2 0 0 0 0 52100 1 0 0 0 0 53 56 2 0 0 0 0 53103 1 0 0 0 0 54 56 1 0 0 0 0 54104 1 0 0 0 0 56105 1 0 0 0 0 57 59 2 0 0 0 0 57106 1 0 0 0 0 58 59 1 0 0 0 0 58107 1 0 0 0 0 59108 1 0 0 0 0 M END $$$$