REMARK  Name = BDB062040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.845   0.791   1.257  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1       -1.711  -0.240   1.639  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -2.883  -0.482   0.915  0.00  0.00    +0.038 A 
ATOM      4  N   LIG    1       -3.719  -1.525   1.318  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -3.418  -2.170   2.037  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -4.962  -1.763   0.798  0.00  0.00    +0.222 C 
ATOM      7  C   LIG    1       -5.525  -0.688  -0.117  0.00  0.00    +0.097 C 
ATOM      8  C   LIG    1       -4.430  -0.115  -1.027  0.00  0.00    +0.098 C 
ATOM      9  N   LIG    1       -4.927   0.997  -1.867  0.00  0.00    -0.309 NA
ATOM     10  H   LIG    1       -4.388   1.006  -2.732  0.00  0.00    +0.123 HD
ATOM     11  C   LIG    1       -6.354   0.937  -2.178  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -6.881  -0.487  -2.266  0.00  0.00    +0.016 C 
ATOM     13  C   LIG    1       -6.709  -1.224  -0.939  0.00  0.00    +0.016 C 
ATOM     14  O   LIG    1       -5.599  -2.752   1.156  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -3.211   0.281  -0.213  0.00  0.00    -0.009 A 
ATOM     16  C   LIG    1       -2.334   1.307  -0.597  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -1.172   1.565   0.136  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        0.415   1.078   2.045  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        4.369  -0.056   0.843  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1        3.236  -0.609   0.070  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        1.913  -0.444   0.856  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        1.641   0.961   1.239  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.801   1.482   2.000  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        4.131   1.354   1.224  0.00  0.00    +0.122 C 
BRANCH  19  28
ATOM     25  C   LIG    1        8.090  -0.662  -0.976  0.00  0.00    +0.070 A 
ATOM     26  C   LIG    1        7.583   0.594  -0.698  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1        6.380   0.814  -0.112  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        5.613  -0.251   0.216  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1        6.072  -1.550  -0.020  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        7.314  -1.760  -0.624  0.00  0.00    +0.024 A 
BRANCH  25  32
ATOM     31  N   LIG    1       10.405  -0.940  -2.097  0.00  0.00    -0.191 NA
ATOM     32  C   LIG    1        9.367  -0.815  -1.594  0.00  0.00    +0.101 C 
ENDBRANCH  25  32
ENDBRANCH  19  28
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4