D05UWI -OEChem-10121500002D 44 46 0 0 0 0 0 0 0999 V2000 5.6622 1.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 -4.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6622 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6622 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3942 2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 -4.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 -3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4223 -3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -2.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -3.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -3.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3942 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0652 -1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0652 0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1252 2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -3.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0119 -2.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2307 -2.4197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -1.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 -4.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3162 4.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9176 3.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -1.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 -3.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -2.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 3.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9312 4.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0842 4.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 5 21 2 0 0 0 0 6 21 1 0 0 0 0 6 31 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 26 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$