REMARK  Name = BDB013022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.055   0.565  -0.588  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.617   1.804  -0.390  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.978   1.817  -0.576  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.360   3.114  -0.401  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.320   3.841  -0.059  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.716   0.679  -0.909  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -2.101  -0.458  -1.099  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.217   3.013  -0.054  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.731  -0.484  -0.924  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.264   0.049   0.005  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        3.538   0.803   0.856  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        2.207   0.951   0.631  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        1.512   0.364  -0.420  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        2.276  -0.388  -1.311  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        3.650  -0.541  -1.098  0.00  0.00    +0.044 A 
BRANCH  10  20
ATOM     16  C   LIG    1        9.499  -0.972   0.791  0.00  0.00    +0.105 C 
ATOM     17  N   LIG    1        8.239  -0.791   1.506  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        7.730   0.589   1.324  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        6.189   0.705   1.332  0.00  0.00    +0.122 C 
ATOM     20  N   LIG    1        5.631  -0.084   0.221  0.00  0.00    -0.313 N 
ATOM     21  C   LIG    1        6.275  -1.382  -0.037  0.00  0.00    +0.122 C 
ATOM     22  C   LIG    1        7.230  -1.794   1.109  0.00  0.00    +0.103 C 
ENDBRANCH  10  20
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1       -4.083   0.742  -1.056  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.380  -0.112  -1.529  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.914   0.901   0.134  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.354   0.661  -0.229  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -6.939  -0.599  -0.141  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.356  -1.904   0.256  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.640  -2.724   0.385  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.676  -2.104  -0.408  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -8.255  -0.805  -0.533  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -9.043   0.213  -1.028  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -8.480   1.485  -1.123  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -7.149   1.707  -0.732  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5