REMARK  Name = BDB035111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.582   1.186   0.293  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -0.148  -0.229   0.276  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1        1.354  -0.458   0.566  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1        2.203   0.260  -0.404  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        1.791   1.681  -0.505  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1        0.573   2.094   0.356  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.657   0.105  -0.147  0.00  0.00    +0.102 C 
ATOM      8  C   LIG    1        4.111  -1.336   0.143  0.00  0.00    +0.053 C 
ATOM      9  C   LIG    1        5.589  -1.490  -0.019  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1        6.286  -0.707  -0.864  0.00  0.00    +0.097 C 
ATOM     11  N   LIG    1        5.667   0.245  -1.653  0.00  0.00    -0.257 NA
ATOM     12  C   LIG    1        4.450   0.595  -1.354  0.00  0.00    +0.103 C 
BRANCH  10  13
ATOM     13  C   LIG    1        7.809  -0.832  -1.051  0.00  0.00    +0.327 C 
ATOM     14  O   LIG    1        8.414  -1.532   0.032  0.00  0.00    -0.450 OA
ATOM     15  C   LIG    1        9.184  -0.572   0.601  0.00  0.00    +0.204 C 
ATOM     16  C   LIG    1        9.893  -0.976   1.839  0.00  0.00    +0.110 C 
ATOM     17  N   LIG    1        9.232   0.596   0.044  0.00  0.00    -0.151 NA
ATOM     18  N   LIG    1        8.482   0.465  -1.079  0.00  0.00    -0.223 N 
ATOM     19  H   LIG    1        7.791   1.210  -1.192  0.00  0.00    +0.172 HD
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.450   1.497  -0.855  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -7.568  -0.509   0.081  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -6.995  -0.099   1.440  0.00  0.00    +0.221 C 
ATOM     23  O   LIG    1       -7.639  -0.101   2.486  0.00  0.00    -0.275 OA
ATOM     24  N   LIG    1       -5.712   0.389   1.426  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1       -5.378   0.793   2.292  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1       -4.859   0.291   0.323  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1       -5.223  -0.473  -0.783  0.00  0.00    +0.063 A 
ATOM     28  N   LIG    1       -4.436  -0.615  -1.875  0.00  0.00    -0.258 NA
ATOM     29  C   LIG    1       -3.246   0.030  -1.856  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -2.787   0.800  -0.790  0.00  0.00    -0.014 A 
ATOM     31  C   LIG    1       -3.624   0.926   0.325  0.00  0.00    +0.031 A 
ATOM     32  C   LIG    1       -6.503  -1.262  -0.723  0.00  0.00    +0.070 C 
BRANCH  21  34
ATOM     33  C   LIG    1      -10.079  -0.529   0.528  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1       -8.841  -1.361   0.214  0.00  0.00    +0.010 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5