B1JAC2 -OEChem-04022106252D 66 65 0 1 0 0 0 0 0999 V2000 11.4050 9.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 11.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 12.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 10.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0031 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 13.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3491 10.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7477 11.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 12.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4831 9.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8816 9.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6231 13.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 14.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3831 13.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5591 11.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4061 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1791 12.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 11.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6171 4.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0156 5.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7511 3.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1496 3.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4609 3.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0624 3.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4270 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6309 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.9900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 7.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 45 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 5 30 1 0 0 0 0 5 65 1 0 0 0 0 6 31 1 0 0 0 0 6 66 1 0 0 0 0 7 30 2 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 29 31 1 0 0 0 0 29 64 1 0 0 0 0 M END $$$$