REMARK  Name = BDB036963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.393  -1.818   1.163  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.193  -1.027   0.701  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1       -0.356   0.079  -0.113  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        0.768   0.769  -0.586  0.00  0.00    +0.263 A 
ATOM      5  O   LIG    1        0.715   1.743  -1.335  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        2.085   0.300  -0.132  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        2.115  -0.789   0.725  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1        3.349  -1.231   1.202  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        4.531  -0.595   0.809  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        4.504   0.465  -0.101  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.265   0.943  -0.531  0.00  0.00    +0.038 A 
ATOM     12  N   LIG    1        0.955  -1.449   1.128  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.662   0.595  -0.575  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1       -2.312  -0.307  -1.627  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -1.714  -1.161  -2.274  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.643  -0.059  -1.841  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.050  -0.545  -2.631  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.535   0.112  -0.820  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.736  -0.074  -0.996  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.963   0.383   0.551  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -2.608   1.075   0.533  0.00  0.00    +0.044 C 
ENDBRANCH   3  13
BRANCH  10  22
ATOM     22  N   LIG    1        5.674   1.172  -0.394  0.00  0.00    -0.358 N 
ATOM     23  H   LIG    1        5.631   1.704  -1.258  0.00  0.00    +0.142 HD
ATOM     24  H   LIG    1        6.522   0.618  -0.325  0.00  0.00    +0.142 HD
ENDBRANCH  10  22
TORSDOF 2