MMs02335673 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 -0.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0178 0.8840 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6178 1.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9756 1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 -0.4048 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2980 -1.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -0.7271 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8330 -1.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5393 -1.4863 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5618 -1.2128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8934 -0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9612 0.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1572 -1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4888 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7526 -1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0842 -0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1520 0.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8882 1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5566 0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4837 1.4317 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.7475 0.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5515 2.9302 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2586 2.1777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 4.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3368 -1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3925 1.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 0.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 -1.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1476 1.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 2.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 -2.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3451 -2.2137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8862 -2.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6983 -2.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0953 -1.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9425 2.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5456 1.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4954 -0.6663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5277 -2.3631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -2.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 0.7379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 43 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 43 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 25 26 2 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END