REMARK  Name = BDB001742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.649  -0.121   0.368  0.00  0.00    +0.184 A 
ATOM      2  N   LIG    1        0.663   0.123  -0.501  0.00  0.00    -0.141 NA
ATOM      3  N   LIG    1       -0.447  -0.343   0.142  0.00  0.00    -0.166 N 
ATOM      4  C   LIG    1       -1.716  -0.128  -0.426  0.00  0.00    +0.255 C 
ATOM      5  O   LIG    1       -1.802   0.332  -1.562  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -0.043  -0.955   1.329  0.00  0.00    +0.219 A 
ATOM      7  N   LIG    1        1.241  -0.778   1.503  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        7.178   1.329  -0.512  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        5.740   0.978  -0.273  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1        4.771   1.259  -1.242  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.434   0.904  -1.033  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        3.043   0.252   0.144  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        4.020  -0.041   1.105  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        5.356   0.314   0.897  0.00  0.00    +0.004 A 
ENDBRANCH   1  12
BRANCH   6  15
ATOM     15  N   LIG    1       -0.829  -1.649   2.187  0.00  0.00    -0.327 N 
ATOM     16  H   LIG    1       -0.290  -1.980   2.990  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -1.306  -2.462   1.800  0.00  0.00    +0.145 HD
ENDBRANCH   6  15
BRANCH   4  18
ATOM     18  C   LIG    1       -2.883  -0.502   0.455  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.224  -0.048  -0.080  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1       -4.789   1.162   0.350  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -6.023   1.582  -0.147  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.703   0.802  -1.081  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.146  -0.397  -1.523  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.912  -0.820  -1.027  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4