REMARK  Name = BDB015968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.630   2.048  -0.314  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.107   0.923  -0.390  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.443   1.036  -0.519  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.064   2.283  -0.604  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.216   3.373  -0.519  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.119   3.290  -0.368  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.082   0.469   0.102  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.695   0.630  -0.052  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.092   1.902  -0.156  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.941   3.022  -0.101  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.322   2.881   0.050  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.889   1.611   0.150  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.052  -3.341   1.260  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.981  -2.535   0.728  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.007  -3.122   0.011  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.199  -2.105  -0.305  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.654  -0.863   0.200  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.817  -1.187   0.869  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.491   2.464  -0.787  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.262   3.406  -0.136  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.540   3.229  -0.585  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.710   3.977  -0.195  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.659   2.233  -1.480  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.410   1.777  -1.613  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.210  -0.144  -0.596  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1       -3.008  -0.069   0.032  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.496  -1.426  -0.462  0.00  0.00    +0.088 C 
ATOM     28  C   LIG    1       -1.167  -1.726   1.013  0.00  0.00    +0.061 C 
ATOM     29  C   LIG    1       -2.139  -2.735   1.604  0.00  0.00    +0.182 C 
ATOM     30  F   LIG    1       -1.774  -3.005   2.887  0.00  0.00    -0.244 F 
ATOM     31  C   LIG    1       -2.146  -4.042   0.797  0.00  0.00    +0.118 C 
ATOM     32  N   LIG    1       -2.001  -3.879  -0.656  0.00  0.00    -0.312 NA
ATOM     33  H   LIG    1       -2.547  -4.588  -1.145  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -2.381  -2.538  -1.096  0.00  0.00    +0.103 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5