REMARK  Name = BDB036815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.301  -0.528  -0.500  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        2.180  -1.530  -0.615  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        1.176   0.254  -0.343  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1        1.215   1.377   0.147  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1        7.695   0.203  -0.244  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        6.477   0.145  -0.105  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1        5.861  -1.039   0.214  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1        6.471  -1.845   0.231  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1        4.522  -1.314   0.078  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        4.114  -2.474   0.016  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1        3.588  -0.101   0.029  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1        4.233   0.986  -0.825  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        5.586   1.357  -0.238  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1       -0.119  -0.349  -0.766  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -1.300   0.135  -0.179  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -2.565  -0.374  -0.513  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -2.590  -1.397  -1.475  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -1.425  -1.881  -2.081  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -0.186  -1.355  -1.731  0.00  0.00    +0.013 A 
BRANCH  16  20
ATOM     20  N   LIG    1       -3.716   0.100   0.072  0.00  0.00    -0.330 N 
ATOM     21  C   LIG    1       -5.046  -0.464  -0.144  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -5.910   0.221   0.912  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -5.259   1.586   1.051  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1       -3.768   1.271   0.946  0.00  0.00    +0.105 C 
ENDBRANCH  16  20
ENDBRANCH   3  14
TORSDOF 3