B4YAX1 -OEChem-04022103583D 42 44 0 0 0 0 0 0 0999 V2000 -4.3572 -0.0921 0.1716 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -0.5232 -1.0306 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0702 -0.0043 1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3805 -1.9069 -0.2121 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9742 -1.0959 0.3981 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 1.4178 -0.1536 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 -1.1270 1.3873 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3662 2.3099 -0.7058 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0896 1.0458 1.2159 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1908 -1.6468 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8826 -1.2618 -0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9949 -2.5245 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5924 -0.4330 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2896 -0.9063 0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 -3.3082 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4471 0.2950 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3516 1.2052 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 0.8863 -1.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 2.2093 0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8489 -0.1506 1.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 2.1268 -1.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4633 3.4846 0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3413 -1.6566 -2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -1.1539 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 -2.9127 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2591 -3.3452 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 0.4889 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4175 -0.1805 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -1.1488 1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2068 -4.0019 -0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4661 -3.5533 1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 -3.4806 -0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0384 1.4689 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 0.4708 -2.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9345 2.4538 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3623 1.6242 1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -0.3584 2.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9363 3.1316 -0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 2.8893 -2.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0938 4.0848 1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1806 4.0883 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6185 3.2632 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 11 1 0 0 0 0 5 29 1 0 0 0 0 6 19 1 0 0 0 0 6 33 1 0 0 0 0 7 14 2 0 0 0 0 7 20 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 8 38 1 0 0 0 0 9 17 1 0 0 0 0 9 20 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 21 2 0 0 0 0 18 34 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$