BRD3I6 -OEChem-04012113563D 40 40 0 1 0 0 0 0 0999 V2000 4.8407 -0.9907 0.2390 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0315 1.3858 1.1291 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7784 1.6217 0.3262 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0138 0.0041 1.9003 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 -2.1545 -0.5478 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8464 -0.0354 0.6594 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5489 -0.1840 -0.5339 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7139 1.4312 -0.9061 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2156 -1.4481 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 0.6749 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4873 -0.6397 -0.3920 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9418 -0.7046 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1129 -0.0693 -1.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1975 0.7482 0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3041 -0.7654 -1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 0.0521 0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5213 2.9412 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 0.9169 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6965 -1.5437 -0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7924 0.3278 0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9951 -1.5684 1.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0565 1.2703 -1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1927 -2.3577 -0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2545 -1.8118 0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3168 -0.0589 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 -0.1243 -2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2193 1.3296 1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -1.3493 -2.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 0.1064 1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 3.4693 -0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 3.2240 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 3.3112 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9093 -2.1703 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5205 -2.2002 -1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5915 -0.9462 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2155 -0.5934 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 -0.7270 2.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1157 -2.1404 1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6817 -2.2207 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9672 2.2428 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 18 2 0 0 0 0 3 20 1 0 0 0 0 3 40 1 0 0 0 0 4 20 2 0 0 0 0 7 18 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 25 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$