REMARK  Name = BDB014382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.504  -0.218  -0.114  0.00  0.00    +0.197 A 
ATOM      2  N   LIG    1       -2.070  -1.284  -0.767  0.00  0.00    -0.326 N 
ATOM      3  H   LIG    1       -1.561  -1.993  -1.270  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -3.428  -1.246  -0.581  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -3.634  -0.126   0.221  0.00  0.00    +0.103 A 
ATOM      6  C   LIG    1       -4.950   0.204   0.610  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -6.006  -0.613   0.172  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -5.752  -1.723  -0.626  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.778  -2.485  -1.028  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.461  -2.074  -1.024  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1       -2.427   0.484   0.503  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        2.624   0.830  -0.291  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1        1.860   0.496  -1.496  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1        0.716  -0.495  -1.187  0.00  0.00    +0.127 C 
ATOM     15  N   LIG    1       -0.166  -0.011  -0.109  0.00  0.00    -0.298 N 
ATOM     16  C   LIG    1        0.355   1.095   0.718  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        1.869   0.931   0.968  0.00  0.00    +0.127 C 
BRANCH  12  21
ATOM     18  C   LIG    1        6.535  -0.433   0.054  0.00  0.00    +0.088 A 
ATOM     19  C   LIG    1        5.843  -0.492  -1.129  0.00  0.00    +0.134 A 
ATOM     20  N   LIG    1        4.558  -0.096  -1.263  0.00  0.00    -0.221 NA
ATOM     21  C   LIG    1        3.926   0.383  -0.177  0.00  0.00    +0.218 A 
ATOM     22  N   LIG    1        4.536   0.469   1.020  0.00  0.00    -0.221 NA
ATOM     23  C   LIG    1        5.821   0.063   1.113  0.00  0.00    +0.134 A 
BRANCH  18  25
ATOM     24  N   LIG    1        8.988  -1.205   0.266  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        7.886  -0.856   0.171  0.00  0.00    +0.102 C 
ENDBRANCH  18  25
ENDBRANCH  12  21
ENDBRANCH   1  15
BRANCH   6  26
ATOM     26  C   LIG    1       -5.248   1.378   1.460  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -6.396   1.653   1.788  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1       -4.196   2.146   1.865  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -3.242   1.917   1.594  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -4.371   2.952   2.447  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 4