BDCI25 -OEChem-04022106293D 53 57 0 0 0 0 0 0 0999 V2000 -6.1185 -1.3416 -1.6917 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 1.8717 -1.7828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2785 -1.8295 0.9496 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0876 -1.2282 0.3021 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 0.0158 -0.3474 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8720 1.1544 2.0194 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5177 1.1585 1.8080 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6281 -0.3239 0.0673 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2573 -0.5053 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -0.3854 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9031 0.8432 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8907 -0.5481 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4817 0.9037 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4653 -0.3995 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8965 -0.0234 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3043 -0.1152 -0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1777 -0.3868 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6436 -0.8104 0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5882 -0.9377 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 0.6738 -1.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0096 -2.6717 0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 0.8160 -1.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.8094 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7123 -1.3307 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4162 -1.2764 -1.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3276 -1.1885 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7807 0.7591 1.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3183 0.0138 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5854 0.0387 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2614 1.3916 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0885 0.7820 1.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2954 3.0707 -1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 1.8046 0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8576 -1.9860 0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4128 1.4050 -1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -2.9354 1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2385 -3.0312 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 -3.1257 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6872 2.8674 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1907 -2.1723 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 0.8205 -0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 -1.7787 -2.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1738 -1.9537 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6297 -0.2634 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 2.1324 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9142 1.1385 2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6519 0.9141 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4901 1.7218 2.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3483 -0.3486 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7568 -0.8902 -0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 3.8045 -1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8846 2.8911 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 3.4755 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 25 1 0 0 0 0 2 22 1 0 0 0 0 2 32 1 0 0 0 0 3 18 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 5 41 1 0 0 0 0 6 27 2 0 0 0 0 6 31 1 0 0 0 0 7 27 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 28 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 11 1 0 0 0 0 9 19 2 0 0 0 0 10 13 2 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 23 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 25 2 0 0 0 0 13 33 1 0 0 0 0 14 20 2 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 22 2 0 0 0 0 16 26 1 0 0 0 0 17 28 1 0 0 0 0 19 29 1 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 23 30 1 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 28 31 2 0 0 0 0 29 30 2 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$