MMs02259821 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 41 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 -0.7556 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0112 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7668 -3.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 -3.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0112 -2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2556 -1.2893 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0224 -5.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5224 -5.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2780 -6.4725 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.5738 -5.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 -5.1961 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8261 -4.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7742 -6.8279 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7742 -8.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4719 -7.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6385 -6.5638 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1418 -7.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3592 -6.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2922 -8.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 -9.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4888 -2.6045 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0366 -0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2112 -2.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8966 -5.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2359 -6.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1731 -8.5461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4233 -8.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -10.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 -10.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 -8.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 -0.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9822 -7.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0336 -7.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4686 -5.3593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 -4.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2336 -7.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 -8.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 35 40 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 7 1 M CHG 1 22 -1 M END