LA21JN -OEChem-05022322173D 39 39 0 0 0 0 0 0 0999 V2000 4.8104 1.4049 -0.0794 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6192 3.7378 0.0037 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1585 -2.9016 1.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6793 1.0616 1.0376 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 1.3667 -1.4389 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 -1.8258 -0.7772 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1589 1.4670 -0.1703 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1305 2.9465 0.2044 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3786 -1.8970 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7163 -0.4868 -0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 -2.5579 -0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8462 0.1298 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -1.2015 0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 -2.0613 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3883 0.3947 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.6715 -1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8521 -0.9606 1.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6526 0.1356 -1.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -0.1533 1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2294 2.0728 0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0747 -1.8486 1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2762 -2.5253 -0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 0.1563 -0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -0.5330 -1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5706 -2.6253 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1059 -3.5765 -0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 0.1795 1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7334 -0.5122 0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9349 -1.0694 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4439 1.4169 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9922 -0.8758 -2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.3741 2.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9472 0.5510 -2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 0.0415 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9359 2.1654 1.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1433 1.4721 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 3.6019 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3276 3.3957 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9751 3.3669 -1.2349 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 8 1 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 2 39 1 0 0 0 0 3 14 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 29 1 0 0 0 0 7 12 1 0 0 0 0 7 20 1 0 0 0 0 7 30 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$