MMs01861860 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 62 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 1.3043 0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3149 2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6298 4.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2172 2.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 3.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8539 4.7554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3845 4.4539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4985 5.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0854 3.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6858 1.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9756 4.4910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0666 2.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5573 2.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4475 3.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8471 5.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3565 5.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9382 3.8217 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.1055 5.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7708 2.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4288 3.6544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0292 2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5198 2.1124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.6789 1.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4101 3.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8097 4.6943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.0097 4.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3190 4.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6999 5.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1202 0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 1.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0434 -0.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 -1.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5895 -1.2183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9373 0.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 2.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5948 5.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8244 1.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4953 5.5907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3545 1.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0376 1.6821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5593 6.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8761 6.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8628 1.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1044 1.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2442 5.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6579 6.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6657 5.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4121 6.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7341 6.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0206 0.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6006 -0.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2199 1.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 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 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 45 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 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 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 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 34 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 36 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 M END