BA1CI5 -OEChem-04042103563D 57 59 0 0 0 0 0 0 0999 V2000 -6.7420 1.5001 -0.1060 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4812 1.0883 0.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5965 0.6468 0.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6464 2.9216 0.1854 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 -1.6461 0.5812 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3169 -1.5738 1.6175 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.4761 -2.0148 -0.5271 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3813 0.0647 0.0492 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 0.0422 -0.8732 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9427 -1.4096 0.4325 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9830 -0.8275 -0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3119 0.6500 1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0092 0.3382 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9712 -2.2585 -0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8331 1.9794 0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 -0.3499 -0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1177 0.8434 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5035 -0.1307 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8767 -0.5058 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1112 -0.6484 -0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -3.2879 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9937 2.0438 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -2.5583 0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1557 3.1505 0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5698 -0.9928 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0516 1.7056 -0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7446 1.2185 -0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8836 -4.6173 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 3.2792 -0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0278 -3.8876 1.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 4.3859 0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2718 1.3178 -1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9504 -4.9170 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7999 4.4501 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0194 -0.5281 -1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -0.7311 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1571 -0.0206 1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7948 0.7777 1.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 -0.0285 -1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 -1.4356 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 0.8284 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 -2.0469 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8428 -3.0672 -2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 1.1427 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0856 -1.8080 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2533 3.1181 1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2113 2.7601 -0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9424 1.9292 -0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2696 0.2601 -2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5973 1.8822 -2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2845 1.7185 -1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8234 -5.4189 -1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3824 3.3295 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0765 -4.1221 2.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 5.2979 0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9415 -5.9520 0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1767 5.4121 -0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 17 1 0 0 0 0 1 32 1 0 0 0 0 2 13 2 0 0 0 0 5 20 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 9 41 1 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 14 21 2 0 0 0 0 14 23 1 0 0 0 0 15 22 2 0 0 0 0 15 24 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 25 2 0 0 0 0 18 27 1 0 0 0 0 19 25 1 0 0 0 0 21 28 1 0 0 0 0 21 43 1 0 0 0 0 22 29 1 0 0 0 0 22 44 1 0 0 0 0 23 30 2 0 0 0 0 23 45 1 0 0 0 0 24 31 2 0 0 0 0 24 46 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 33 2 0 0 0 0 28 52 1 0 0 0 0 29 34 2 0 0 0 0 29 53 1 0 0 0 0 30 33 1 0 0 0 0 30 54 1 0 0 0 0 31 34 1 0 0 0 0 31 55 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$