MMs02395596 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 64 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 1.5000 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2565 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 -1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5131 -2.5753 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1131 -1.5361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7697 -3.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5262 -5.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2697 -3.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0131 -2.5677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7696 -3.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0262 -5.1658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2696 -3.8554 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6696 -2.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0130 -2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5130 -2.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2696 -3.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7695 -3.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5130 -2.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7564 -1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2564 -1.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0129 -2.5222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7695 -3.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2695 -3.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0260 -5.1051 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.7564 -1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2563 -1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9998 0.0910 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0261 -5.1506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2827 -6.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0393 -7.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7827 -6.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2856 1.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6255 0.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 -4.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -5.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1315 -6.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5624 -4.5681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 -2.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 -3.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2757 -5.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 -1.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -2.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2154 -1.3697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6748 -4.8824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3748 -4.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3511 -0.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6512 -0.2060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6440 -4.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9838 -4.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1623 -3.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3950 -3.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6267 -0.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9588 -0.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1551 -1.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3860 -1.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2261 -5.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7767 -5.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5828 -6.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7888 -7.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 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 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 46 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 16 1 0 0 0 0 14 30 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 M END