REMARK  Name = BDB018920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.226   0.124  -0.280  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        2.298  -0.788   0.243  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.946  -0.398   0.346  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        0.476   0.852  -0.096  0.00  0.00    +0.039 A 
ATOM      5  N   LIG    1       -0.890   1.194  -0.013  0.00  0.00    -0.285 N 
ATOM      6  C   LIG    1       -1.284   2.605  -0.205  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1       -0.125   3.584  -0.072  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        1.018   3.151  -0.969  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.435   1.761  -0.574  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.786   1.389  -0.690  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.028   0.342  -0.113  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -3.201   0.759   0.434  0.00  0.00    -0.212 NA
ATOM     13  C   LIG    1       -4.238  -0.079   0.313  0.00  0.00    +0.163 A 
ATOM     14  N   LIG    1       -5.533   0.109   0.799  0.00  0.00    -0.280 N 
ATOM     15  C   LIG    1       -6.322  -1.004   0.461  0.00  0.00    +0.331 A 
ATOM     16  N   LIG    1       -5.480  -1.883  -0.252  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1       -5.855  -3.155  -0.794  0.00  0.00    +0.154 C 
ATOM     18  O   LIG    1       -7.501  -1.178   0.729  0.00  0.00    -0.246 OA
ATOM     19  C   LIG    1       -5.944   1.264   1.538  0.00  0.00    +0.155 C 
ATOM     20  C   LIG    1       -4.210  -1.306  -0.334  0.00  0.00    +0.089 A 
ATOM     21  C   LIG    1       -3.051  -1.742  -0.918  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -1.945  -0.892  -0.806  0.00  0.00    +0.046 A 
ENDBRANCH   5  11
BRANCH   1  27
ATOM     23  C   LIG    1        7.925  -1.026   0.789  0.00  0.00    +0.172 C 
ATOM     24  N   LIG    1        6.710  -0.682   0.092  0.00  0.00    -0.274 N 
ATOM     25  N   LIG    1        6.737  -0.507  -1.243  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        5.476  -0.186  -1.544  0.00  0.00    +0.142 A 
ATOM     27  C   LIG    1        4.635  -0.184  -0.411  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.473  -0.496   0.638  0.00  0.00    +0.116 A 
ENDBRANCH   1  27
BRANCH   2  29
ATOM     29  C   LIG    1        2.695  -2.164   0.713  0.00  0.00    +0.372 C 
ATOM     30  F   LIG    1        1.640  -3.033   0.762  0.00  0.00    -0.204 F 
ATOM     31  F   LIG    1        3.216  -2.158   1.972  0.00  0.00    -0.204 F 
ENDBRANCH   2  29
TORSDOF 3