REMARK Name = BDB062009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.636 -0.963 0.939 0.00 0.00 -0.008 C ATOM 2 C LIG 1 1.665 -0.284 1.859 0.00 0.00 +0.022 C ATOM 3 C LIG 1 3.095 -0.622 1.452 0.00 0.00 +0.108 C ATOM 4 N LIG 1 3.342 -0.331 0.040 0.00 0.00 -0.297 N ATOM 5 C LIG 1 4.618 -0.051 -0.459 0.00 0.00 +0.249 C ATOM 6 O LIG 1 4.958 -0.264 -1.621 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 2.384 -0.911 -0.896 0.00 0.00 +0.108 C ATOM 8 C LIG 1 0.939 -0.590 -0.518 0.00 0.00 +0.022 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 5.635 0.528 0.436 0.00 0.00 +0.072 A ATOM 10 C LIG 1 5.418 1.749 1.065 0.00 0.00 +0.135 A ATOM 11 F LIG 1 4.261 2.410 0.914 0.00 0.00 -0.205 F ATOM 12 C LIG 1 6.400 2.302 1.880 0.00 0.00 +0.039 A ATOM 13 C LIG 1 7.617 1.638 2.050 0.00 0.00 +0.007 A ATOM 14 C LIG 1 7.870 0.423 1.391 0.00 0.00 -0.041 A ATOM 15 C LIG 1 6.860 -0.133 0.588 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 9.190 -0.285 1.605 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 9.752 -0.960 0.361 0.00 0.00 +0.074 A ATOM 18 C LIG 1 10.363 -0.143 -0.719 0.00 0.00 +0.011 A ATOM 19 C LIG 1 10.856 -0.824 -1.830 0.00 0.00 +0.050 A ATOM 20 C LIG 1 11.444 -0.128 -2.893 0.00 0.00 +0.014 A ATOM 21 C LIG 1 11.540 1.262 -2.842 0.00 0.00 +0.001 A ATOM 22 C LIG 1 11.050 1.950 -1.732 0.00 0.00 +0.001 A ATOM 23 C LIG 1 10.754 -2.292 -1.876 0.00 0.00 +0.272 A ATOM 24 O LIG 1 11.187 -2.934 -2.826 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 10.157 -2.890 -0.794 0.00 0.00 -0.242 N ATOM 26 H LIG 1 10.077 -3.902 -0.811 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 10.462 1.253 -0.671 0.00 0.00 +0.010 A ATOM 28 N LIG 1 9.666 -2.257 0.304 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 9 BRANCH 1 29 ATOM 29 C LIG 1 -0.790 -0.580 1.382 0.00 0.00 +0.004 C BRANCH 29 30 ATOM 30 C LIG 1 -1.910 -1.281 0.600 0.00 0.00 +0.011 C BRANCH 30 31 ATOM 31 C LIG 1 -2.538 -0.416 -0.492 0.00 0.00 +0.120 C BRANCH 31 32 ATOM 32 C LIG 1 -3.327 0.744 0.064 0.00 0.00 +0.307 C ATOM 33 O LIG 1 -3.033 1.917 -0.118 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -4.396 0.294 0.772 0.00 0.00 -0.460 OA BRANCH 34 35 ATOM 35 C LIG 1 -5.257 1.309 1.310 0.00 0.00 +0.267 C BRANCH 35 43 ATOM 36 C LIG 1 -9.350 -1.973 2.684 0.00 0.00 +0.020 C ATOM 37 C LIG 1 -9.403 -2.056 1.348 0.00 0.00 +0.040 C ATOM 38 C LIG 1 -8.362 -1.774 0.317 0.00 0.00 +0.089 C ATOM 39 C LIG 1 -9.230 -1.547 -0.913 0.00 0.00 +0.189 C ATOM 40 C LIG 1 -9.547 -0.071 -1.154 0.00 0.00 +0.057 C ATOM 41 C LIG 1 -8.273 0.808 -1.217 0.00 0.00 -0.003 C ATOM 42 C LIG 1 -7.352 0.528 -0.017 0.00 0.00 -0.038 C ATOM 43 C LIG 1 -6.395 1.591 0.345 0.00 0.00 -0.011 C ATOM 44 C LIG 1 -6.500 2.825 -0.190 0.00 0.00 -0.020 C ATOM 45 C LIG 1 -7.570 3.268 -1.137 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -8.733 2.284 -1.199 0.00 0.00 +0.015 C ATOM 47 C LIG 1 -7.508 0.504 -2.527 0.00 0.00 +0.016 C ATOM 48 O LIG 1 -10.455 -2.261 -0.688 0.00 0.00 -0.457 OA ATOM 49 C LIG 1 -7.430 -0.641 0.652 0.00 0.00 -0.011 C ATOM 50 C LIG 1 -10.640 -2.468 0.644 0.00 0.00 +0.336 C ATOM 51 O LIG 1 -11.643 -2.927 1.157 0.00 0.00 -0.245 OA ENDBRANCH 35 43 ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 10