REMARK  Name = BDB013217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.265   0.416   0.467  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.456  -0.043  -0.671  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.819   0.121  -0.655  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.257  -0.325  -1.867  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.245  -0.797  -2.559  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.511   0.675   0.424  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.852   1.107   1.464  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.105  -0.617  -1.805  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.477   0.956   1.461  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.526   0.084   0.871  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -3.893   1.288   1.187  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -2.506   1.402   1.054  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.735   0.308   0.627  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -2.386  -0.899   0.328  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.772  -1.017   0.458  0.00  0.00    +0.013 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -6.484   0.310   2.110  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -5.994  -0.012   1.030  0.00  0.00    +0.247 C 
ATOM     18  N   LIG    1       -6.747  -0.439  -0.047  0.00  0.00    -0.298 N 
ATOM     19  C   LIG    1       -6.311  -0.573  -1.431  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1       -7.601  -0.514  -2.241  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -8.633  -1.096  -1.283  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -8.192  -0.536   0.060  0.00  0.00    +0.108 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        3.884   0.790   0.395  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        4.149   1.441   1.134  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.692  -0.417   0.556  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.147  -0.034   0.659  0.00  0.00    -0.020 A 
ATOM     27  C   LIG    1        7.014   0.040  -0.457  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1        8.337   0.420  -0.259  0.00  0.00    +0.135 A 
ATOM     29  O   LIG    1        9.012   0.431  -1.442  0.00  0.00    -0.463 OA
ATOM     30  C   LIG    1        8.131   0.063  -2.405  0.00  0.00    +0.196 A 
ATOM     31  C   LIG    1        8.887   0.746   0.977  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1        8.028   0.682   2.075  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        6.894  -0.187  -1.858  0.00  0.00    +0.050 A 
ATOM     34  C   LIG    1        6.691   0.304   1.922  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5