REMARK  Name = BDB028599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.922  -0.965  -3.262  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.093  -0.783  -2.571  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.732  -0.618  -1.313  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1        0.362  -0.703  -1.167  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.282  -0.567   0.078  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.436  -0.336   1.142  0.00  0.00    -0.224 NA
ATOM      7  C   LIG    1        1.803  -0.249   1.006  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.509  -0.373  -0.139  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -0.166  -0.915  -2.420  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.036  -0.277  -0.195  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1        4.786  -0.452   1.133  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1        6.298  -0.451   0.901  0.00  0.00    +0.160 C 
ATOM     13  O   LIG    1        6.696   0.300  -0.245  0.00  0.00    -0.380 OA
ATOM     14  C   LIG    1        5.890   1.452  -0.459  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1        4.476   1.042  -0.860  0.00  0.00    +0.036 C 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     16  N   LIG    1        0.853  -1.332  -5.827  0.00  0.00    -0.189 NA
ATOM     17  C   LIG    1        0.908  -1.166  -4.679  0.00  0.00    +0.121 C 
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  N   LIG    1       -1.656  -0.678   0.128  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.103  -1.205  -0.613  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.349  -0.794   1.399  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.826  -0.648   1.175  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.413   0.574   0.858  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.791   1.901   0.631  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.051   2.767   0.634  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.192   1.941   0.304  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.778   0.674   0.624  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.619  -0.418   0.689  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.056  -1.652   1.013  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.679  -1.757   1.250  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.172  -2.964   1.539  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 5