MMs03684432 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 50 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 1.2954 -0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2881 -2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8934 -0.7690 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9326 -1.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5634 -0.6421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5725 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8289 1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3601 1.4657 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0635 0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6670 -1.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9511 1.5129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 1.3489 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8421 2.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0455 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5365 -0.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1400 -1.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6310 -1.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5185 -0.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9151 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4241 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0095 -0.6806 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.3297 2.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7263 3.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8207 2.3940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 0.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 -1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 -1.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 -2.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 -3.4563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 -2.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8312 0.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 0.9028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3223 2.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4684 2.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8798 -0.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 -1.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4299 -2.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1137 -2.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6252 1.8241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1827 1.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0621 1.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5307 3.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -2.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8861 -2.2689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9224 -2.8740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 48 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 M END