REMARK  Name = BDB056781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.657  -0.450   1.383  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.423  -1.035   1.074  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.704  -0.204   1.121  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.627   1.140   1.469  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.865   1.728   1.432  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        2.706   0.782   1.053  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.615   1.702   1.802  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        2.042  -0.415   0.878  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        2.630  -1.676   0.493  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.756   0.892   1.763  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -2.755  -1.284   1.362  0.00  0.00    -0.456 OA
BRANCH  11  18
ATOM     12  C   LIG    1       -4.852   0.679  -2.651  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -4.972   0.110  -1.263  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1       -6.223  -0.018  -0.619  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.287  -0.663   0.636  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -7.601  -0.936   1.318  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -5.103  -1.055   1.280  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -3.866  -0.844   0.678  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -3.800  -0.291  -0.599  0.00  0.00    +0.051 A 
BRANCH  14  20
ATOM     20  N   LIG    1       -7.407   0.292  -1.313  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -7.293   1.014  -2.016  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -8.198   0.485  -0.709  0.00  0.00    +0.142 HD
ENDBRANCH  14  20
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1        4.179   0.977   0.875  0.00  0.00    +0.303 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.544   0.426  -0.392  0.00  0.00    -0.483 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.872   0.441  -0.729  0.00  0.00    +0.138 A 
ATOM     26  C   LIG    1        6.247  -0.352  -1.827  0.00  0.00    +0.093 A 
ATOM     27  C   LIG    1        7.583  -0.384  -2.251  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        8.547   0.372  -1.587  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.180   1.161  -0.501  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.849   1.199  -0.072  0.00  0.00    +0.047 A 
BRANCH  26  31
ATOM     31  C   LIG    1        5.282  -1.160  -2.517  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1        4.522  -1.842  -3.070  0.00  0.00    -0.191 NA
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 7