MMs00194963 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 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 -0.7389 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0222 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5222 2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 -0.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 1.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 -1.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7386 -1.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2386 -1.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2608 1.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7609 1.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 2.5466 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9774 -2.6750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 -3.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2828 -1.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7163 -3.9804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2162 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9551 -5.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4550 -5.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2161 -4.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4773 -2.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9773 -2.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7161 -4.0318 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 3.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2166 3.9162 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6089 -1.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 1.3157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 3.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -1.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3699 2.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1298 -2.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1996 -0.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8697 2.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1074 -5.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3462 -6.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0461 -6.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0861 -1.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3862 -1.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 5.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 2 0 0 0 0 M CHG 1 29 -1 M END