MMs01392765 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 53 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 -1.3630 -0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3799 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6454 1.7842 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 1.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8697 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8866 1.4045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2495 0.7781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6041 -1.0061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9778 -2.3690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1777 -1.7286 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6097 -1.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7124 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3831 -3.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1444 -1.8525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.2471 -2.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6791 -2.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0084 -0.9594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9057 0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4737 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4404 -0.5129 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -15.8869 -1.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9939 0.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.8724 -0.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2017 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6337 1.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7364 0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4071 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9751 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.1684 1.2732 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0463 -0.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 -1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7076 2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6715 -3.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7829 -2.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0590 -0.2159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5640 -0.5546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2927 -3.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7978 -3.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8319 -3.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8777 -2.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8600 0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3550 1.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2750 -0.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3208 0.8012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3195 2.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8971 3.0143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.2892 -1.4503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7116 -2.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 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 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END