MMs01851571 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 40 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 -0.6231 -1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1163 -1.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9864 -0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3633 1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4685 2.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7746 1.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4766 -0.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0664 2.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0522 3.6181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7461 4.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4542 3.5934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3725 1.3805 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6644 2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9705 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9847 -0.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2623 2.1675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.5684 1.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5827 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8888 -0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1806 -0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1664 1.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8603 2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4582 2.2168 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -16.4867 -0.7830 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1946 0.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 -2.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 2.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7347 5.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8843 3.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4269 3.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2509 3.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5492 -0.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9002 -2.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8489 3.3921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 37 1 0 0 0 0 M END