B1EGN4 -OEChem-04022110353D 54 57 0 1 0 0 0 0 0999 V2000 1.3711 -1.3558 0.5955 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 0.6113 -0.8011 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5292 1.8636 -2.6155 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1776 2.3175 1.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5830 -2.3772 -0.8139 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 1.7558 -0.7417 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4095 1.0125 0.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9331 1.3785 0.6568 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3966 2.0439 1.0128 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6848 -0.1167 0.8539 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5094 3.1939 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1337 2.6295 -1.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8173 -0.2713 0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1205 -0.5860 2.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 1.4419 -1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 1.3167 1.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7664 0.3491 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 0.0313 -0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6502 -0.2492 1.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3568 0.2399 -1.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7758 -0.8848 -1.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5967 -1.1652 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1653 -0.6651 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6595 -1.4831 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9767 -2.0460 -0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1055 -0.1259 0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7281 -2.8876 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8569 -0.9673 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6683 -2.3483 1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5919 -2.6564 -2.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7741 1.7604 1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4463 2.3901 2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1671 -0.7274 0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5299 3.5408 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0817 4.0449 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5427 3.4037 -1.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5684 2.0134 -1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6116 -0.0304 3.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 -1.6465 2.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 -0.4588 2.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1489 0.4939 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6094 -0.0116 2.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1044 -0.2720 -2.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9336 1.1391 -1.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7699 -1.0853 -2.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2821 -1.6286 1.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2453 -2.4778 -1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2599 0.9484 0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5807 -3.9627 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5885 -0.5475 1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2531 -3.0035 1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3877 -3.3869 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8388 -1.7649 -2.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 -3.1198 -2.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 24 1 0 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 24 2 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END $$$$