REMARK  Name = BDB008629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.155   1.122  -1.567  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -1.913   2.113  -2.460  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.678  -0.357  -1.210  0.00  0.00    -0.264 N 
ATOM      4  C   LIG    1        2.474  -0.036  -1.791  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        2.654  -0.265  -3.150  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.587  -0.035  -4.032  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        0.365   0.419  -3.515  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.184   0.655  -2.142  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1        3.987  -0.716  -3.263  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1        1.257   0.417  -1.259  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        4.615  -0.775  -2.086  0.00  0.00    -0.178 NA
BRANCH   3  12
ATOM     12  C   LIG    1        4.008  -0.284   0.203  0.00  0.00    +0.146 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.545  -1.526   0.959  0.00  0.00    +0.051 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.917  -1.454   2.432  0.00  0.00    +0.161 C 
BRANCH  14  16
ATOM     15  C   LIG    1        3.560  -0.214   4.403  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        3.318  -0.292   3.004  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  N   LIG    1       -1.997  -0.025  -1.130  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1       -1.976  -0.524   0.186  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -2.248  -1.704   0.435  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -1.695   0.466   1.345  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -1.462  -0.209   2.598  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -2.655  -0.327   3.375  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -3.162   1.067   3.786  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -2.970   2.118   2.762  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -2.073   2.566   2.962  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -2.863   1.482   1.437  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -2.437  -0.947  -2.171  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -3.781  -1.635  -2.091  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -3.539  -0.604  -3.143  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 8