MMs01543644 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 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 -0.9348 -1.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 -2.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -3.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8044 -3.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3529 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4181 -0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 0.4460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1596 1.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1127 2.8687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5088 2.3201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4186 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5768 -0.1303 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.9814 0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1396 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8934 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5442 -0.0303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9438 1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4423 1.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9688 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7957 -0.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0187 -2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4148 -2.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5879 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3649 -0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 -0.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7478 0.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 0.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 -2.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8822 -4.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 -4.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5396 -1.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9618 1.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3714 1.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8932 1.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7601 1.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0160 2.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2639 2.6689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6038 1.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0803 -3.0883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5932 -4.0757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7048 -2.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3034 0.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END