MMs01106820 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 -1.0427 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 -0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5405 -1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -3.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9958 -1.4291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0384 -2.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4936 -2.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9062 -0.7015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8635 0.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4083 0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3614 -0.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4041 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8593 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2718 0.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2292 1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7740 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7271 0.7537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.7697 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3572 -1.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.2249 0.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3746 -0.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6462 -0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0883 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.1667 0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.8029 1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3607 2.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2824 1.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7860 1.4302 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -17.2709 -2.4208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 -0.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 0.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8627 0.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0482 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5314 -2.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0091 0.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4923 -0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -3.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5272 -3.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5781 -3.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6871 -2.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8579 1.0485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3748 1.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2148 0.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3239 1.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0740 -2.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6934 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5592 2.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9398 1.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0571 1.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.3794 -1.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.3204 0.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.6656 2.7908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0697 3.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 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 11 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 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 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 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 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 M END