MMs01648461 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 1.3047 -0.7400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2655 -1.3400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9027 -0.7201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 -2.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -2.9800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5817 -3.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3162 -2.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 -4.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1845 1.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5007 -0.7002 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5400 -1.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5122 -2.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0987 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3805 1.5795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0758 2.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7825 1.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6738 2.3395 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4337 1.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9138 3.6327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9670 3.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1124 4.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5772 4.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3371 3.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3420 2.4998 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 1.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 0.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -1.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8196 0.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3623 0.9450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5043 -2.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -3.3445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4325 -4.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6416 -5.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 -4.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9122 -2.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5214 -3.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -2.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8771 -1.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3345 -1.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8110 -1.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5721 0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8401 3.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2974 3.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3635 2.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6024 1.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2145 5.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0569 6.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5315 3.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 53 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 M END