REMARK Name = BDB054164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.129 -0.138 -1.800 0.00 0.00 -0.017 A ATOM 2 C LIG 1 1.011 -1.388 -1.179 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -0.234 -1.914 -0.769 0.00 0.00 -0.046 A ATOM 4 C LIG 1 -0.207 -3.265 -0.108 0.00 0.00 +0.044 C ATOM 5 C LIG 1 -1.407 -1.167 -1.008 0.00 0.00 -0.036 A ATOM 6 C LIG 1 -1.279 0.071 -1.678 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.038 0.575 -2.067 0.00 0.00 +0.009 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -2.820 -1.538 -0.545 0.00 0.00 +0.081 C ATOM 9 C LIG 1 -3.144 -1.119 0.924 0.00 0.00 +0.149 C ATOM 10 C LIG 1 -3.327 0.360 1.073 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -2.311 0.871 1.865 0.00 0.00 +0.069 A ATOM 12 C LIG 1 -2.188 2.217 2.162 0.00 0.00 +0.056 A ATOM 13 C LIG 1 -3.147 3.070 1.628 0.00 0.00 +0.159 A ATOM 14 C LIG 1 -4.184 2.574 0.828 0.00 0.00 +0.159 A ATOM 15 F LIG 1 -5.097 3.414 0.321 0.00 0.00 -0.202 F ATOM 16 F LIG 1 -3.073 4.383 1.887 0.00 0.00 -0.202 F ATOM 17 C LIG 1 -1.454 -0.219 2.302 0.00 0.00 +0.341 C ATOM 18 O LIG 1 -0.463 -0.129 2.996 0.00 0.00 -0.245 OA ATOM 19 C LIG 1 -4.285 1.212 0.541 0.00 0.00 +0.049 A ATOM 20 O LIG 1 -2.005 -1.362 1.803 0.00 0.00 -0.449 OA ATOM 21 C LIG 1 -4.313 -1.929 1.515 0.00 0.00 +0.069 C ATOM 22 C LIG 1 -5.311 -2.362 0.448 0.00 0.00 +0.085 C ATOM 23 N LIG 1 -4.720 -3.142 -0.637 0.00 0.00 -0.315 NA ATOM 24 H LIG 1 -4.949 -4.131 -0.534 0.00 0.00 +0.122 HD ATOM 25 C LIG 1 -3.264 -2.993 -0.777 0.00 0.00 +0.093 C ENDBRANCH 5 8 BRANCH 1 27 ATOM 26 C LIG 1 3.077 1.434 -1.428 0.00 0.00 -0.038 A ATOM 27 C LIG 1 2.447 0.402 -2.162 0.00 0.00 -0.015 A ATOM 28 C LIG 1 3.109 -0.130 -3.284 0.00 0.00 +0.009 A ATOM 29 C LIG 1 4.361 0.343 -3.680 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.976 1.358 -2.958 0.00 0.00 +0.000 A ATOM 31 C LIG 1 4.340 1.899 -1.842 0.00 0.00 +0.004 A BRANCH 26 32 ATOM 32 C LIG 1 2.464 2.053 -0.182 0.00 0.00 +0.054 C BRANCH 32 33 ATOM 33 C LIG 1 2.659 1.210 1.084 0.00 0.00 +0.109 C BRANCH 33 36 ATOM 34 C LIG 1 6.260 1.629 2.190 0.00 0.00 +0.109 C ATOM 35 C LIG 1 4.813 1.996 2.003 0.00 0.00 +0.210 C ATOM 36 N LIG 1 4.056 1.005 1.425 0.00 0.00 -0.315 N ATOM 37 H LIG 1 4.526 0.220 0.993 0.00 0.00 +0.149 HD ATOM 38 O LIG 1 4.373 3.095 2.322 0.00 0.00 -0.276 OA ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 1 27 TORSDOF 5