B2UGC3 -OEChem-04012116362D 104103 0 1 0 0 0 0 0999 V2000 14.9129 5.2909 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.5469 5.6569 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.9129 7.0229 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 11.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1098 9.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4837 7.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8138 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6798 4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1450 6.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2790 7.6569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 9.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8138 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0818 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4119 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2779 6.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5407 9.7078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8497 10.6588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8497 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1588 9.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 9.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9478 3.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0818 6.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5459 3.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0818 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2779 5.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0818 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4119 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1440 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9478 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6798 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4119 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9478 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 12.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9478 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4119 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2779 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0100 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1440 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1440 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4119 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4129 6.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2790 6.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 9.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2374 10.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 10.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 11.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 9.9884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7812 8.8091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 7.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4278 8.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6052 6.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0037 6.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4847 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5448 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0828 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8697 3.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4712 3.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9353 2.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3338 1.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8149 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5448 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8138 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5448 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9488 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2578 6.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4847 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 7.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2351 12.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9209 12.9478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1023 12.6336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9058 2.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6788 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5258 1.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 1.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4847 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2578 2.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7919 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4119 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0319 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5879 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8149 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9679 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3200 4.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5469 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7000 5.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5240 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1440 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7640 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4540 6.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6809 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8340 7.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7219 7.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1019 6.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6819 6.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 47 1 0 0 0 0 2 47 1 0 0 0 0 3 47 1 0 0 0 0 18 4 1 1 0 0 0 4 38 1 0 0 0 0 5 20 2 0 0 0 0 6 22 2 0 0 0 0 7 34 2 0 0 0 0 8 35 2 0 0 0 0 9 36 2 0 0 0 0 10 48 1 0 0 0 0 10104 1 0 0 0 0 11 48 2 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 25 13 1 1 0 0 0 13 35 1 0 0 0 0 13 71 1 0 0 0 0 26 14 1 6 0 0 0 14 34 1 0 0 0 0 14 72 1 0 0 0 0 27 15 1 1 0 0 0 15 36 1 0 0 0 0 15 73 1 0 0 0 0 30 16 1 1 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 28 1 0 0 0 0 25 34 1 0 0 0 0 25 60 1 0 0 0 0 26 37 1 0 0 0 0 26 61 1 0 0 0 0 27 29 1 0 0 0 0 27 35 1 0 0 0 0 27 62 1 0 0 0 0 28 31 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 32 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 33 1 0 0 0 0 30 36 1 0 0 0 0 30 67 1 0 0 0 0 31 39 1 0 0 0 0 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