REMARK  Name = BDB003764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.337   2.594  -1.472  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -5.101   1.308  -0.815  0.00  0.00    -0.307 N 
ATOM      3  C   LIG    1       -3.752   0.990  -0.451  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -3.376   0.168   0.610  0.00  0.00    +0.163 A 
ATOM      5  N   LIG    1       -2.071   0.013   0.964  0.00  0.00    -0.195 NA
ATOM      6  C   LIG    1       -1.115   0.636   0.264  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -1.382   1.431  -0.769  0.00  0.00    -0.220 NA
ATOM      8  N   LIG    1       -4.348  -0.513   1.387  0.00  0.00    -0.326 N 
ATOM      9  C   LIG    1       -3.844  -0.908   2.706  0.00  0.00    +0.151 C 
ATOM     10  C   LIG    1       -5.257  -1.388   0.758  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -6.117  -0.928  -0.246  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1       -7.017  -1.811  -0.880  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -7.059  -3.159  -0.538  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.211  -3.633   0.450  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.326  -2.759   1.089  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -2.680   1.593  -1.093  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -6.227   0.498  -0.629  0.00  0.00    +0.261 A 
ATOM     18  O   LIG    1       -7.366   0.901  -0.888  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   6  19
ATOM     19  N   LIG    1        0.184   0.398   0.702  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        0.154  -0.241   1.482  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.449   0.796   0.259  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        2.577   0.367   0.976  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        3.876   0.736   0.598  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        4.074   1.554  -0.509  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        2.964   1.981  -1.235  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        1.668   1.612  -0.852  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  O   LIG    1        5.277   1.979  -0.997  0.00  0.00    -0.487 OA
BRANCH  27  28
ATOM     28  C   LIG    1        6.432   1.844  -0.165  0.00  0.00    +0.264 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.119   0.503  -0.304  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1        7.080  -0.215  -1.507  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1        7.746  -1.432  -1.613  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1        7.697  -2.113  -2.766  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        8.466  -1.952  -0.544  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1        8.526  -1.241   0.652  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        7.861  -0.017   0.770  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5