L95PQE -OEChem-05032300503D 68 71 0 1 0 0 0 0 0999 V2000 3.1947 -2.2939 -1.5605 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7072 1.9476 1.2179 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0377 -2.3054 1.6411 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2371 -2.9893 -0.8289 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7212 -2.8286 -2.8227 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7227 5.2688 -0.7119 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4211 1.2667 -1.8461 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3176 5.7205 -1.5969 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 2.8768 -0.1805 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -0.6296 -1.7591 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 0.7062 2.1653 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3245 -0.0309 -2.4405 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6308 1.5418 3.6539 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2939 -0.6999 3.4155 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1052 3.5176 -0.6437 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0206 3.4676 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 -2.1642 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8892 -2.1845 0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4323 2.0497 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 -1.9263 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7931 -2.0822 1.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5218 -2.0317 -1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4867 -1.9497 1.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9154 -1.7906 -0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8765 0.1619 -0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 2.0799 1.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1025 1.2256 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3195 -2.1459 3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 1.7885 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 4.9368 -1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6821 -2.2810 2.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 -2.2910 -0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -1.1587 -2.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9804 -0.0632 0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4412 -1.5282 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3016 -2.1599 -0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3179 -1.0277 -2.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0082 0.8367 1.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7912 -1.3884 -2.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8985 0.5583 3.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2302 3.0141 -1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7111 4.0239 1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8963 3.9959 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5801 1.5212 1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7301 1.4800 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 -2.0388 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 -1.8421 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7668 3.2545 0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0909 -0.1605 -2.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2716 2.6379 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4429 2.5891 1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 -2.0985 4.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4959 -2.3673 3.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9766 -2.8172 0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -0.7210 -2.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7263 -0.8380 0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1674 -2.5585 -0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4148 -0.5275 -3.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7307 0.8956 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7439 -1.6655 -3.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 -2.0865 -2.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 6.1923 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2486 0.0061 -2.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7433 0.6160 -2.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4713 2.5279 3.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3627 1.3064 4.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8474 -1.5287 3.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0412 -0.8374 4.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 27 1 0 0 0 0 2 38 1 0 0 0 0 3 18 1 0 0 0 0 3 31 1 0 0 0 0 6 30 1 0 0 0 0 6 62 1 0 0 0 0 7 29 2 0 0 0 0 8 30 2 0 0 0 0 9 15 1 0 0 0 0 9 29 1 0 0 0 0 9 48 1 0 0 0 0 10 25 1 0 0 0 0 10 49 1 0 0 0 0 11 26 1 0 0 0 0 11 40 2 0 0 0 0 12 39 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 40 1 0 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 14 40 1 0 0 0 0 14 67 1 0 0 0 0 14 68 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 21 1 0 0 0 0 19 26 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 28 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 32 2 0 0 0 0 24 33 1 0 0 0 0 25 27 2 0 0 0 0 25 34 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 28 31 2 0 0 0 0 28 52 1 0 0 0 0 31 53 1 0 0 0 0 32 36 1 0 0 0 0 32 54 1 0 0 0 0 33 37 2 0 0 0 0 33 55 1 0 0 0 0 34 38 2 0 0 0 0 34 56 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 35 39 1 0 0 0 0 36 57 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 39 60 1 0 0 0 0 39 61 1 0 0 0 0 M END $$$$