REMARK  Name = BDB013158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.519   0.140   0.118  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.661   0.835  -0.773  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.311   0.639  -0.616  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.284   1.458  -1.529  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.633   2.073  -2.241  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.231  -0.217   0.348  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.560  -0.837   1.182  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.865   1.679  -1.763  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.921  -0.641   1.044  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.981   2.569   1.107  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        4.689   1.354   0.579  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        3.990   0.233   0.113  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.744  -0.845  -0.363  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        6.134  -0.775  -0.361  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        6.742   0.374   0.116  0.00  0.00    +0.116 A 
ATOM     16  N   LIG    1        6.049   1.421   0.588  0.00  0.00    -0.237 NA
BRANCH  15  17
ATOM     17  N   LIG    1        8.129   0.479   0.154  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        8.536   0.318  -0.760  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        8.337   1.414   0.496  0.00  0.00    +0.144 HD
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -1.593  -0.400   0.451  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.760  -0.887   1.334  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.296  -1.141  -0.596  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.738  -1.321  -0.218  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.614  -0.251  -0.053  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.370   1.210  -0.130  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.816   1.707  -0.135  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.663   0.695   0.454  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.939  -0.460   0.312  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.456  -1.721   0.526  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.603  -2.809   0.352  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.266  -2.603  -0.017  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.477  -3.676  -0.170  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5