MMs03613855 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 1.4161 0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2482 1.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1051 -0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5212 -0.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6576 -1.4528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0737 -0.9580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5790 0.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5684 -2.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4898 -0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7694 1.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1854 1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3219 0.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0423 -0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6263 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7380 1.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8745 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5949 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7313 -2.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1474 -1.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4270 -0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2905 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5701 2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8497 3.4840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8431 0.0523 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1329 -0.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 -1.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8296 1.5416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3452 1.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1759 -1.7279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6916 -2.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9347 0.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4503 0.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4340 -2.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4091 2.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9515 -1.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4026 -2.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4620 -1.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5077 -3.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0566 -2.6993 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 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 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 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 3 0 0 0 0 M END