REMARK  Name = BDB003951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.790  -0.315   0.647  0.00  0.00    -0.328 N 
ATOM      2  C   LIG    1       -0.243  -0.627  -0.354  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1       -1.593  -0.205   0.269  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -1.929   1.220  -0.189  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -1.586   2.225   0.430  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.539   1.355  -1.404  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -2.342   2.311  -1.694  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -3.906   1.347  -1.398  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.519   2.359  -1.736  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.628   0.060  -1.068  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.106  -0.704   0.140  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.690  -1.221  -0.096  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.284  -0.229   1.775  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1        0.171   0.219   1.865  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        2.815  -0.758  -0.735  0.00  0.00    +0.075 A 
ATOM     16  C   LIG    1        2.140  -0.162   0.363  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        2.947   0.618   1.226  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        4.317   0.828   1.017  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        4.937   0.242  -0.081  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1        4.195  -0.551  -0.955  0.00  0.00    +0.053 A 
BRANCH  19  21
ATOM     21  N   LIG    1        6.370   0.452  -0.314  0.00  0.00    +0.056 N 
ATOM     22  O   LIG    1        6.871  -0.076  -1.317  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        6.992   1.143   0.504  0.00  0.00    -0.126 OA
ENDBRANCH  19  21
BRANCH  15  25
ATOM     24  N   LIG    1        1.672  -2.334  -2.455  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        2.172  -1.635  -1.672  0.00  0.00    +0.101 C 
ENDBRANCH  15  25
ENDBRANCH   1  16
TORSDOF 3