MMs03947642 MOE2007 2D CORINA 3.40 0006 02.08.2006 86 88 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 0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 1.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4899 2.6039 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8899 3.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 1.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 3.8942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 3.8883 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6652 4.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0202 5.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5202 5.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2752 6.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7752 6.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5202 5.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7651 3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2651 3.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0101 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5101 2.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 3.9058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 3.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 2.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4797 5.2136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0797 4.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7247 6.5097 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1247 7.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2247 6.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4696 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2146 9.1020 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7146 9.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4696 7.8117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9797 5.2195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9696 7.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2246 6.5273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9797 5.2312 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5797 6.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2348 3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9898 2.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2449 1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2449 1.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4898 2.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4797 5.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2347 3.9409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2182 -1.8943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8591 -2.3272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 -0.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1672 0.5400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 2.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 4.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 5.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2332 6.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6793 7.5163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3793 7.5057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7202 5.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3611 2.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 3.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4061 1.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6308 4.9427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4377 5.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 6.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5534 7.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5474 8.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 10.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6595 10.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0696 7.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5838 4.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8206 7.5688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 4.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3185 3.1543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0449 1.3265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 -1.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 -0.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4448 1.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7878 3.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4595 10.4097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8555 11.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2246 6.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4246 6.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 51 1 0 0 0 0 3 52 1 0 0 0 0 3 53 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 55 1 0 0 0 0 4 56 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 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 57 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 60 1 0 0 0 0 15 16 1 0 0 0 0 15 61 1 0 0 0 0 16 17 2 0 0 0 0 16 62 1 0 0 0 0 17 18 1 0 0 0 0 17 63 1 0 0 0 0 18 64 1 0 0 0 0 19 20 2 0 0 0 0 19 65 1 0 0 0 0 21 22 1 0 0 0 0 21 66 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 33 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 30 1 0 0 0 0 29 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