MMs02383337 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 -1.4999 0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5222 -2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7388 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9776 -2.6237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4776 -2.6366 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8776 -3.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2387 -1.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7386 -1.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4997 -0.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7609 1.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2164 -3.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4553 -5.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -1.2668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 0.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9998 0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7386 1.3569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2386 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9774 2.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2163 3.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4773 2.6880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0684 3.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2384 1.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4996 0.0900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9997 0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2608 -1.2282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7609 -1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7384 1.4083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 1.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1311 -3.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3687 -3.6578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1146 -0.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 -0.1641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5201 -2.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8627 -1.7769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3699 -2.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3687 0.4393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6981 1.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8697 -2.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6368 -1.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9794 -2.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3295 2.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3473 0.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 -3.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3074 -4.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6086 0.9569 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 50 1 0 0 0 0 16 17 2 0 0 0 0 16 51 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 29 2 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 M END