B4TJ7V -OEChem-04022108282D 72 73 0 1 0 0 0 0 0999 V2000 10.0369 0.5575 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 3.3122 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6247 1.3665 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 1.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5689 -1.6807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 -0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0337 -0.0334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 0.0177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2480 -1.0116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 -1.3206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0826 -0.3425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9236 -1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6178 -1.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.6868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7157 -2.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 1.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 -0.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7279 -0.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 2.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 0.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 -0.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0369 0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -1.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 2.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6708 -2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4029 -2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 3.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2970 -0.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6708 -3.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4029 -3.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8057 3.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2234 2.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -3.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4644 -1.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2115 0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -1.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -1.6080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 -2.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0786 -2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0327 -1.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1626 0.5730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2349 0.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1093 -2.4789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5868 -3.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3222 -2.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2595 -0.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 1.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1817 2.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 2.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7815 1.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8345 2.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1339 -2.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9398 -2.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 4.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 4.3962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 3.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 1.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 0.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1339 -3.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9398 -3.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3073 2.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1701 3.5907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3041 3.4535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2882 3.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6068 2.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1586 1.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -4.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 25 1 0 0 0 0 2 21 1 0 0 0 0 2 30 1 0 0 0 0 3 25 1 0 0 0 0 3 27 1 0 0 0 0 4 15 2 0 0 0 0 5 19 2 0 0 0 0 6 22 1 0 0 0 0 6 32 1 0 0 0 0 7 22 2 0 0 0 0 12 8 1 1 0 0 0 8 19 1 0 0 0 0 8 45 1 0 0 0 0 9 15 1 0 0 0 0 16 9 1 6 0 0 0 9 50 1 0 0 0 0 10 31 3 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 1 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 21 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 24 31 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 35 1 0 0 0 0 27 36 1 0 0 0 0 27 55 1 0 0 0 0 28 33 1 0 0 0 0 28 56 1 0 0 0 0 29 34 2 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 37 2 0 0 0 0 33 64 1 0 0 0 0 34 37 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 M END $$$$