MMs01792879 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 -0.7548 1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2548 1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 -1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7452 -1.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9000 -1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2548 1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5096 2.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2451 -1.3186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6413 -2.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7451 -1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -0.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4903 -2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9903 -2.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7354 -3.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2354 -3.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9806 -5.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4806 -5.2464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2257 -6.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4709 -7.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7257 -6.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4709 -7.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9709 -7.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7257 -6.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9805 -5.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4806 -5.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7354 -3.9557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.3393 -2.9187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2354 -3.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4902 -2.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1587 2.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 2.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8413 -2.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 -2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3611 -3.0322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6943 -3.8085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7863 -1.4490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1194 -2.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6063 -4.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9394 -5.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0314 -2.7564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3646 -3.5327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8514 -5.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1846 -6.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8670 -8.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5670 -8.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.9257 -6.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5844 -4.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7548 1.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3587 2.3109 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 35 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 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 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 52 53 1 0 0 0 0 M END