LJC1S6 -OEChem-05032301102D 86 88 0 1 0 0 0 0 0999 V2000 4.8006 1.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 4.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0952 2.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0916 3.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.5453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 1.9580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -2.2773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9007 5.3770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4553 4.1874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0388 -0.0453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9054 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0388 -1.0453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0878 0.2638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0878 -1.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4054 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4054 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7788 1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.4113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0000 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1389 2.9090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1607 3.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 3.6522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8517 4.0680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7862 3.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 4.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -4.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9007 4.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8517 5.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -5.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -5.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -4.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3845 0.7313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3845 -1.8218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4754 0.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5508 -1.6643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 -1.9207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8684 -1.7213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7154 -1.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9423 -1.1013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9423 0.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7154 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8684 0.6308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -1.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0544 1.8290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 2.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -2.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 3.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1391 2.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -2.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -2.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -0.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -0.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2229 4.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9002 4.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9002 5.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -4.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -3.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9139 5.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3886 5.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 6.2524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3991 5.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0617 4.0585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2637 4.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 -5.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -6.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 -6.0514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -5.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -5.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 -4.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 -3.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -4.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -4.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 20 2 0 0 0 0 28 3 1 1 0 0 0 3 72 1 0 0 0 0 4 30 2 0 0 0 0 5 31 2 0 0 0 0 6 34 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 23 8 1 1 0 0 0 8 52 1 0 0 0 0 21 9 1 1 0 0 0 9 30 1 0 0 0 0 9 54 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 75 1 0 0 0 0 11 31 1 0 0 0 0 11 76 1 0 0 0 0 11 77 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 6 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 6 0 0 0 15 19 1 6 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 23 53 1 0 0 0 0 29 24 1 1 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 31 1 0 0 0 0 28 66 1 0 0 0 0 29 32 1 0 0 0 0 29 34 1 0 0 0 0 29 67 1 0 0 0 0 30 33 1 0 0 0 0 32 35 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 36 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 37 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 M END $$$$