B0EAH8 -OEChem-04022105352D 53 54 0 0 0 0 0 0 0999 V2000 4.6456 -2.2599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -1.6213 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4252 3.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -0.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6063 1.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 -0.6507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8210 4.4396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 1.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 0.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 1.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 0.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 -0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0185 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4198 3.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8265 4.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2278 5.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 3.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 1.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0211 1.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1727 -0.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 0.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5740 0.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2188 1.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 0.8813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6199 0.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0672 2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4224 2.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3765 2.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0213 3.2716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8697 4.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2249 4.4851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 5.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4799 5.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6614 5.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9072 3.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7732 3.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9104 3.9950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.1632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.1632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 15 2 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 4 13 2 0 0 0 0 5 14 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$