BDN74I -OEChem-04022111563D 45 47 0 0 0 0 0 0 0999 V2000 1.3577 1.1134 2.4729 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 3.5883 -0.7598 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 3.5741 -1.8184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3904 4.7697 -0.5764 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5136 -1.9930 0.3275 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0769 -3.2576 -0.7479 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2953 1.2395 0.0671 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2012 3.2889 0.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3883 -2.1737 -0.1976 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1590 -0.2692 1.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 -0.0155 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2934 -1.4804 2.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -0.9808 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6482 1.9206 0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3074 -2.5851 2.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5169 -1.4866 0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7612 -1.4124 -1.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6304 2.2402 -0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5712 0.9531 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5847 2.0469 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 -2.4242 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 -2.3497 -2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6709 -2.8556 -1.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8288 1.1307 0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2472 -0.2605 -0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -1.1191 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7623 0.0946 0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1805 -1.2966 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 -1.8788 2.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1284 -1.2388 3.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7324 3.6899 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2726 -2.2341 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 -3.4472 2.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4734 -2.9242 1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9646 -1.1497 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8088 -1.0295 -1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4909 1.6126 -1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6882 2.7292 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 -2.8145 -0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 -2.6860 -3.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 -3.5847 -2.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0978 2.0709 0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -0.4398 -1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7321 0.2688 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -2.2298 -1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 18 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 17 22 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$