MMs01979860 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.2930 0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 3.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 2.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 2.9999 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4890 0.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 -1.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 0.8227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6850 0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 0.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0020 -1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7090 -2.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4040 -1.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3070 -2.1356 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5674 -3.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0465 -0.8306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6120 -2.8752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9050 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2801 -2.7140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2749 -1.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5145 -0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0498 -0.6218 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 1.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0344 -0.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 -1.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6076 -1.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9134 2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5644 4.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2529 1.7273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0774 2.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6754 2.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0244 0.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7186 -3.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3696 -2.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6216 -4.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4692 -1.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9938 0.8019 0.0000 H 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 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 37 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 42 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 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 M END