MMs02935180 MOE2007 2D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 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 1.5000 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 -1.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 -1.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 -2.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0204 -2.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7601 -1.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2600 -1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1513 -2.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5742 -1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5623 -0.4654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1321 -0.0132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7522 1.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6968 -2.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3965 -4.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9737 -4.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8510 -3.9098 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0101 -3.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4282 -4.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3055 -3.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8827 -3.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5824 -5.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7051 -6.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -5.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2506 -6.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -2.8698 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.6734 -6.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3732 -7.8440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5192 -5.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 1.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6243 0.4312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9287 -3.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3245 -3.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5916 1.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 1.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5457 -2.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4441 -5.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4649 -7.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0104 -8.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2790 -6.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6575 -5.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 29 30 3 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 M END