MMs01683880 MOE2007 2D CORINA 3.40 0006 02.08.2006 35 36 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 0.0105 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 -2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2832 -2.2591 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 -0.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5241 -3.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -3.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5665 -4.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8602 -5.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1645 -4.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -3.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8812 -2.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4793 -2.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4898 -0.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7730 -3.0546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0773 -2.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4433 -2.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4548 -1.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7139 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2445 -0.8230 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.7449 -4.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0464 -5.8721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4582 -5.2954 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0084 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7221 -3.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 -2.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9075 -1.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5231 -5.1108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8518 -6.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8897 -1.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7646 -4.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6473 -1.9595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2096 0.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 21 22 3 0 0 0 0 M END