REMARK Name = BDB029299 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.480 -1.242 0.287 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.668 -2.015 0.489 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.874 -3.205 0.332 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.718 -1.108 0.970 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.028 -1.404 1.300 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.850 -0.352 1.726 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.317 0.958 1.815 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.979 1.240 1.477 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.192 0.175 1.050 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.239 0.157 0.621 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.098 -1.209 -0.812 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -2.821 -0.814 -0.339 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.740 -1.704 -0.184 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.958 -3.043 -0.509 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.204 -3.478 -0.962 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.255 -2.574 -1.106 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.324 -0.134 -0.966 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -6.270 -0.345 -2.215 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.306 0.558 -3.023 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -4.933 1.227 -1.678 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -5.928 1.409 -4.013 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -6.430 2.070 -4.823 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -6.011 -0.046 0.414 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -9.031 -0.835 0.515 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -8.494 0.499 0.548 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -7.176 0.876 0.505 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -7.117 2.189 0.594 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -8.400 2.675 0.665 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -9.216 1.648 0.638 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.420 2.635 1.557 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.312 2.696 2.347 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.030 3.101 0.339 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.290 3.554 2.055 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.297 -0.612 2.098 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 6.245 0.198 1.311 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 7.586 0.140 1.924 0.00 0.00 +0.097 C ATOM 37 C LIG 1 8.578 1.035 1.175 0.00 0.00 +0.107 C ATOM 38 C LIG 1 8.644 0.644 -0.305 0.00 0.00 +0.015 C ATOM 39 C LIG 1 7.245 0.624 -0.912 0.00 0.00 +0.016 C ATOM 40 C LIG 1 6.294 -0.248 -0.092 0.00 0.00 +0.085 C BRANCH 37 41 ATOM 41 C LIG 1 9.945 0.945 1.826 0.00 0.00 +0.394 C ATOM 42 F LIG 1 9.894 1.325 3.122 0.00 0.00 -0.170 F ATOM 43 F LIG 1 10.835 1.748 1.204 0.00 0.00 -0.170 F ATOM 44 F LIG 1 10.431 -0.314 1.789 0.00 0.00 -0.170 F ENDBRANCH 37 41 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9