REMARK  Name = BDB017511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.207   0.198  -1.796  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.216   0.086  -0.897  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.967  -0.259  -1.405  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.171  -0.448  -0.712  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.176  -0.811  -1.633  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.559  -0.837  -2.901  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.194  -1.153  -4.146  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.347  -1.053  -1.390  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.217  -0.497  -2.736  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.171  -0.364  -3.588  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.051  -0.014  -3.130  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.317  -0.281   0.723  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -3.287   0.859   1.070  0.00  0.00    +0.053 C 
ATOM     14  C   LIG    1       -4.011   0.605   2.386  0.00  0.00    +0.162 C 
ATOM     15  O   LIG    1       -3.137  -0.045   3.301  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -2.835  -1.388   2.918  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.741  -1.582   1.406  0.00  0.00    +0.053 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        2.502   0.553  -1.423  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        3.080   0.590  -2.249  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        5.285   1.305  -1.460  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        4.518   1.201  -0.168  0.00  0.00    -0.024 A 
ATOM     22  C   LIG    1        3.077   0.813  -0.199  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        2.452   0.746   0.997  0.00  0.00    +0.138 A 
ATOM     24  N   LIG    1        3.117   1.020   2.185  0.00  0.00    -0.219 N 
ATOM     25  C   LIG    1        4.458   1.382   2.229  0.00  0.00    +0.156 A 
ATOM     26  N   LIG    1        4.838   1.584   3.470  0.00  0.00    -0.215 NA
ATOM     27  C   LIG    1        3.698   1.336   4.173  0.00  0.00    +0.246 A 
ATOM     28  N   LIG    1        2.632   0.990   3.452  0.00  0.00    -0.154 NA
ATOM     29  C   LIG    1        5.152   1.467   0.997  0.00  0.00    +0.053 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3