REMARK  Name = BDB038480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.285  -1.331   0.210  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.094  -0.581   0.292  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.800  -0.475  -0.788  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.477  -1.155  -1.968  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -0.697  -1.915  -2.082  0.00  0.00    -0.020 A 
ATOM      6  C   LIG    1       -1.560  -2.007  -0.984  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.990   0.296  -0.669  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        2.918   0.558  -1.683  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        2.928   0.254  -2.862  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.996   1.354  -1.083  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        5.141   1.850  -1.678  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.015   2.587  -0.879  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.727   2.809   0.481  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.556   2.300   1.073  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        3.697   1.565   0.259  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.398   0.906   0.590  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        4.236   2.531   2.525  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        5.150   3.297   3.177  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        3.035   3.151   2.692  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.148   1.366   3.224  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1       -3.573  -1.007   1.278  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.214  -1.401   1.357  0.00  0.00    -0.007 A 
ATOM     23  C   LIG    1       -1.739  -1.904   2.585  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -2.575  -2.023   3.698  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.910  -1.650   3.605  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.406  -1.152   2.402  0.00  0.00    +0.012 A 
BRANCH  21  29
ATOM     27  C   LIG    1       -2.905   1.712  -0.153  0.00  0.00    +0.152 C 
ATOM     28  N   LIG    1       -3.856   0.714  -0.561  0.00  0.00    -0.317 N 
ATOM     29  C   LIG    1       -4.179  -0.467   0.060  0.00  0.00    +0.164 A 
ATOM     30  N   LIG    1       -5.171  -1.023  -0.615  0.00  0.00    -0.129 NA
ATOM     31  N   LIG    1       -5.463  -0.231  -1.700  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1       -4.664   0.807  -1.654  0.00  0.00    +0.225 A 
ENDBRANCH  21  29
ENDBRANCH   1  22
BRANCH   5  33
ATOM     33  C   LIG    1       -1.010  -2.658  -3.350  0.00  0.00    +0.191 C 
BRANCH  33  34
ATOM     34  O   LIG    1       -0.607  -4.010  -3.198  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1       -0.853  -4.466  -4.019  0.00  0.00    +0.210 HD
ENDBRANCH  33  34
ENDBRANCH   5  33
TORSDOF 6