B49IBX -OEChem-04022105573D 42 44 0 0 0 0 0 0 0999 V2000 -4.5312 0.0377 1.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7757 0.0703 -0.5082 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 -1.2743 -0.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 -1.1245 0.3598 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0444 -1.1770 0.1451 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 -3.2050 0.0442 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 0.0127 -0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 0.2518 0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0738 -1.9184 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 0.6451 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8153 0.8283 0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1973 -1.8724 0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0064 0.6520 -1.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6506 1.0500 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2004 1.9169 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 -3.2946 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 2.1940 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 1.9238 -1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 2.4158 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 2.5562 -1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0692 2.9878 0.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1922 -3.8883 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1046 0.2711 2.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 -0.0588 -1.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 -1.7788 0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 -1.6831 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 0.1763 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7268 0.6435 1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0544 2.4156 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9507 -3.8824 -0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 2.6465 -0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8324 2.4206 -2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 3.0323 1.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7825 3.5461 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2448 4.0507 1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3028 -4.9622 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1932 1.3331 2.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -0.0628 2.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7524 -0.3007 3.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8239 0.9182 -2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -0.5129 -2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 -0.7084 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 23 1 0 0 0 0 2 11 1 0 0 0 0 2 24 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 25 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 9 2 0 0 0 0 5 12 1 0 0 0 0 6 12 2 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 16 1 0 0 0 0 10 15 2 0 0 0 0 11 17 2 0 0 0 0 13 18 1 0 0 0 0 13 27 1 0 0 0 0 14 19 1 0 0 0 0 14 28 1 0 0 0 0 15 20 1 0 0 0 0 15 29 1 0 0 0 0 16 22 2 0 0 0 0 16 30 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$