REMARK  Name = BDB036836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.355  -2.256  -0.261  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.711  -1.926  -0.279  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        2.645  -2.967  -0.690  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1       -0.102  -3.290  -0.742  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -5.189   2.580   0.512  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -4.044   1.646   0.652  0.00  0.00    +0.107 A 
ATOM      7  N   LIG    1       -3.526   0.908  -0.390  0.00  0.00    -0.331 N 
ATOM      8  C   LIG    1       -4.020   0.918  -1.746  0.00  0.00    +0.150 C 
ATOM      9  C   LIG    1       -2.470   0.168   0.088  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       -2.423   0.486   1.444  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1       -1.465  -0.125   2.271  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -0.564  -1.033   1.705  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -0.609  -1.307   0.334  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -1.576  -0.733  -0.505  0.00  0.00    +0.041 A 
ATOM     15  N   LIG    1       -3.388   1.402   1.768  0.00  0.00    -0.233 NA
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1        2.254  -0.593   0.058  0.00  0.00    +0.163 C 
ATOM     17  C   LIG    1        2.978  -0.585   1.417  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1        2.794  -1.418   2.302  0.00  0.00    -0.273 OA
ATOM     19  N   LIG    1        3.835   0.471   1.631  0.00  0.00    -0.255 N 
ATOM     20  H   LIG    1        4.303   0.480   2.527  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1        4.295   1.380   0.711  0.00  0.00    +0.219 C 
ATOM     22  O   LIG    1        5.170   2.189   1.002  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        3.636   1.358  -0.648  0.00  0.00    +0.098 C 
ATOM     24  C   LIG    1        3.195  -0.049  -1.021  0.00  0.00    +0.041 C 
ENDBRANCH   2  16
TORSDOF 2