REMARK  Name = BDB041976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.788   1.888  -1.820  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        1.339   0.733  -1.027  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1        0.645  -0.023  -0.143  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        1.393  -1.111   0.604  0.00  0.00    +0.271 A 
ATOM      5  O   LIG    1        0.824  -1.973   1.268  0.00  0.00    -0.266 OA
ATOM      6  N   LIG    1        2.754  -1.145   0.447  0.00  0.00    -0.317 N 
ATOM      7  H   LIG    1        3.226  -1.912   0.906  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        3.438  -0.361  -0.446  0.00  0.00    +0.105 A 
ATOM      9  C   LIG    1        2.775   0.532  -1.194  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   3  10
ATOM     10  N   LIG    1       -0.711   0.073   0.105  0.00  0.00    -0.197 N 
ATOM     11  C   LIG    1       -1.695   0.111  -0.855  0.00  0.00    +0.258 C 
ATOM     12  O   LIG    1       -1.618   0.103  -2.070  0.00  0.00    -0.269 OA
ATOM     13  C   LIG    1       -2.973   0.116  -0.147  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -2.706   0.077   1.206  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -3.714   0.071   2.151  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -5.031   0.098   1.682  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.304   0.132   0.299  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.265   0.141  -0.637  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -1.255   0.071   1.372  0.00  0.00    +0.258 C 
ATOM     20  O   LIG    1       -0.717   0.160   2.461  0.00  0.00    -0.269 OA
ENDBRANCH   3  10
BRANCH   8  21
ATOM     21  C   LIG    1        4.915  -0.521  -0.614  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1        5.532  -0.130  -1.595  0.00  0.00    -0.269 OA
ATOM     23  N   LIG    1        5.551  -1.115   0.439  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1        6.562  -1.111   0.396  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        5.130  -1.139   1.357  0.00  0.00    +0.145 HD
ENDBRANCH   8  21
TORSDOF 2