MMs01371278 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 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 1.3139 0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5975 -0.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 -1.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 0.6711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1951 -0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5090 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7926 -0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7623 -1.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4484 -2.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1648 -1.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0460 -2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0156 -3.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3599 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6435 -2.4857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9574 -1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3151 -2.3998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5409 -3.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3411 -1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8408 -1.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6169 -0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8933 1.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3936 1.2920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6175 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1443 -0.2738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1166 -0.0826 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5789 1.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0511 -0.5789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5789 -1.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5613 1.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1037 1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9357 1.8709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 1.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8438 0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 -3.5805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1136 -2.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6073 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1496 -0.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4197 -2.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5142 2.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 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 35 1 0 0 0 0 11 36 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 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 M END