REMARK  Name = BDB018769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -7.771  -1.108  -1.093  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -7.073  -0.872   0.208  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -5.812  -0.055  -0.112  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -6.023   1.433   0.175  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -7.129   1.963   0.241  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.892   2.208   0.241  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -5.046   3.208   0.288  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -3.595   1.698   0.332  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.406   0.328   0.517  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -2.104  -0.178   0.633  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -0.986   0.671   0.554  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -1.210   2.047   0.374  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.506   2.561   0.270  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -4.608  -0.562   0.691  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.629  -0.263  -1.624  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -7.054  -0.353  -2.147  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        0.380   0.135   0.669  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        0.821  -0.903  -0.168  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.117  -1.417  -0.057  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        3.004  -0.896   0.891  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.575   0.128   1.742  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.276   0.638   1.627  0.00  0.00    +0.009 A 
BRANCH  20  23
ATOM     23  C   LIG    1        4.373  -1.477   0.975  0.00  0.00    +0.244 C 
ATOM     24  N   LIG    1        5.362  -0.641   1.448  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1        5.178   0.350   1.494  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1        4.572  -2.628   0.605  0.00  0.00    -0.270 OA
BRANCH  24  27
ATOM     27  C   LIG    1        6.753  -1.038   1.430  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.468  -0.420   0.257  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.348  -0.988  -1.020  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        7.989  -0.410  -2.116  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.753   0.744  -1.948  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.874   1.321  -0.686  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.233   0.745   0.412  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  35
ATOM     34  N   LIG    1      -10.170  -1.781  -1.266  0.00  0.00    -0.174 NA
ATOM     35  C   LIG    1       -9.059  -1.464  -1.185  0.00  0.00    +0.169 C 
ENDBRANCH   1  35
TORSDOF 5