D0B3YW Wcorina 11010620243D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 53 57 0 1 0 999 V2000 -0.3081 3.9245 0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 1.3724 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5418 2.4619 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0478 3.7342 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9488 4.9427 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2843 4.5917 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8053 3.3669 0.2578 N 0 0 2 0 0 0 0 0 0 0 0 0 3.0054 2.2077 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1747 2.8437 0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 1.5591 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7184 0.6747 0.4243 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9094 1.4669 0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5238 2.7672 0.7428 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0011 1.5314 4.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2047 1.4793 4.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3937 1.2760 4.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 1.3803 2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 0.8998 1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8906 0.8184 0.5556 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 0.9814 0.6502 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1384 1.1786 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3651 1.1237 2.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 0.8025 2.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 1.6285 6.2222 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 1.8353 6.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5741 1.2260 4.8448 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 -0.0563 5.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1647 0.1173 -0.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0916 -0.4110 -1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 5.6715 0.7942 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 3.4971 1.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 5.7456 -0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1245 5.2731 1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1349 4.4216 -1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 5.4082 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 2.0190 -1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1934 1.5176 -0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7249 1.0618 0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0807 1.6854 4.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 1.4209 2.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 0.0890 0.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 2.7420 6.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3166 0.9830 6.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1269 1.9386 7.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 0.0450 5.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2631 -0.4646 5.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1218 -0.7275 4.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.3676 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7267 0.1783 -2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 -1.4466 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 3.2465 2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5839 2.8187 2.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 4.5227 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 4 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 20 1 0 0 0 0 8 36 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 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 22 1 0 0 0 0 16 26 1 0 0 0 0 17 21 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$