BA2W1J -OEChem-04012117202D 44 46 0 0 0 0 0 0 0999 V2000 12.9140 -0.2508 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9046 -0.2508 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4093 1.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1257 -1.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 0.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6929 -1.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 0.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2127 -1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8460 0.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9726 0.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8913 -0.0391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9273 -0.0391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9093 -0.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9093 -0.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2183 0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6003 0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4093 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2337 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5849 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9367 -0.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 -0.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5943 -1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2243 -1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6148 -1.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2038 -1.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5633 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2553 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5407 -0.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 -0.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4185 0.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4001 0.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -2.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4227 -2.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0279 -1.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7908 -1.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0807 0.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 0.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0388 -1.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7978 -1.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -1.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7798 -1.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8186 -1.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 3 18 2 0 0 0 0 8 29 1 0 0 0 0 8 43 1 0 0 0 0 9 30 1 0 0 0 0 9 44 1 0 0 0 0 10 29 2 0 0 0 0 11 30 2 0 0 0 0 12 27 1 0 0 0 0 12 37 1 0 0 0 0 13 28 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 25 2 0 0 0 0 23 33 1 0 0 0 0 24 26 2 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 29 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 28 30 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$