REMARK Name = BDB036154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.803 -0.778 -2.308 0.00 0.00 +0.186 A ATOM 2 C LIG 1 2.658 -0.746 -3.096 0.00 0.00 +0.167 A ATOM 3 N LIG 1 2.742 -0.816 -4.444 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 3.968 -0.882 -4.984 0.00 0.00 +0.223 A ATOM 5 N LIG 1 5.128 -0.888 -4.314 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 5.012 -0.826 -2.975 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 1.367 -0.685 -2.531 0.00 0.00 -0.311 N ATOM 8 C LIG 1 0.196 -0.254 -3.243 0.00 0.00 +0.115 C ATOM 9 C LIG 1 -0.482 -0.067 -1.862 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -1.246 1.248 -1.669 0.00 0.00 +0.025 C ATOM 11 C LIG 1 -2.748 0.984 -1.727 0.00 0.00 +0.085 C ATOM 12 N LIG 1 -3.187 0.139 -0.603 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 -2.219 -0.919 -0.261 0.00 0.00 +0.085 C ATOM 14 C LIG 1 -1.296 -1.296 -1.419 0.00 0.00 +0.025 C ATOM 15 C LIG 1 0.972 -0.008 -1.329 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 -4.551 -0.361 -0.835 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 -5.269 -0.806 0.460 0.00 0.00 +0.006 C ATOM 18 C LIG 1 -6.695 -1.356 0.188 0.00 0.00 -0.006 C ATOM 19 C LIG 1 -7.662 -0.223 -0.216 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -7.744 0.848 0.914 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -6.788 0.440 2.064 0.00 0.00 -0.001 C ATOM 22 C LIG 1 -7.202 -0.936 2.621 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -9.189 1.042 1.376 0.00 0.00 +0.131 C ATOM 24 C LIG 1 -9.718 2.032 0.381 0.00 0.00 +0.308 C ATOM 25 O LIG 1 -10.896 2.253 0.157 0.00 0.00 -0.251 OA ATOM 26 O LIG 1 -8.683 2.683 -0.223 0.00 0.00 -0.464 OA ATOM 27 C LIG 1 -7.458 2.244 0.365 0.00 0.00 +0.239 C ATOM 28 C LIG 1 -7.223 -1.978 1.496 0.00 0.00 +0.004 C ATOM 29 C LIG 1 -5.351 0.320 1.517 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 3.740 -0.690 -0.945 0.00 0.00 -0.450 OA BRANCH 30 32 ATOM 31 C LIG 1 4.865 -1.369 1.037 0.00 0.00 +0.082 A ATOM 32 C LIG 1 4.300 -1.706 -0.202 0.00 0.00 +0.141 A ATOM 33 C LIG 1 4.277 -3.048 -0.599 0.00 0.00 +0.050 A ATOM 34 C LIG 1 4.846 -4.026 0.223 0.00 0.00 +0.042 A ATOM 35 C LIG 1 5.411 -3.666 1.443 0.00 0.00 +0.124 A ATOM 36 F LIG 1 5.946 -4.612 2.224 0.00 0.00 -0.205 F ATOM 37 C LIG 1 5.420 -2.345 1.868 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 5.990 0.825 1.392 0.00 0.00 -0.292 N ATOM 39 C LIG 1 4.834 0.025 1.510 0.00 0.00 +0.251 C ATOM 40 O LIG 1 3.777 0.400 2.014 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 7.097 2.783 2.602 0.00 0.00 +0.028 C ATOM 42 C LIG 1 5.855 2.202 1.933 0.00 0.00 +0.070 C ATOM 43 C LIG 1 5.271 3.170 0.899 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 7.192 0.376 0.637 0.00 0.00 +0.070 C ATOM 45 C LIG 1 8.367 0.023 1.549 0.00 0.00 +0.028 C ATOM 46 C LIG 1 7.609 1.304 -0.502 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8