MMs03902139 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 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 -0.7613 -1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7839 -3.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2838 -3.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4924 -2.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6621 -4.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2972 -4.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9981 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9677 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9807 -6.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2601 -4.3387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5656 -5.0774 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.5656 -3.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5787 -6.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8842 -7.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1767 -6.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8973 -8.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8581 -4.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1636 -5.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8450 -2.8162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1375 -2.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1245 -0.5549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4169 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7224 -0.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -0.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 0.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1773 -2.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1929 -4.9349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8522 -0.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3771 -2.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 -6.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7588 -7.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8222 -6.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2497 -3.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3952 -6.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1781 -7.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9234 -7.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5676 -5.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2106 -5.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7857 -7.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0972 -8.8055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9077 -10.0159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6973 -8.8264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8006 -2.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5577 -3.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3174 -1.8362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9445 -0.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7042 0.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4039 1.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4378 2.3153 0.0000 H 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 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 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 53 54 1 0 0 0 0 M END