REMARK  Name = BDB036810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.311   0.316   0.170  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.840   0.107   1.046  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.556   0.775  -0.888  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1       -1.044   1.376  -1.839  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -6.606  -0.394   1.240  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -5.476  -0.028   0.933  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.545   0.267   1.897  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.838   0.072   2.845  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.189   0.360   1.706  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.404   0.244   2.647  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.729   0.633   0.270  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -3.576  -0.199  -0.687  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -5.044   0.155  -0.503  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        0.914   0.542  -0.808  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        1.458  -0.503  -0.048  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        2.836  -0.650  -0.021  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1        3.637  -1.704   0.679  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1        5.039  -1.077   0.656  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1        5.105  -0.194  -0.599  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1        3.670   0.205  -0.750  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1        3.147   1.225  -1.526  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.760   1.392  -1.551  0.00  0.00    +0.013 A 
ENDBRANCH   3  14
TORSDOF 2