REMARK  Name = BDB021373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.716   2.994  -0.180  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.807   2.160  -0.164  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.320   0.943  -0.331  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.942   0.967  -0.422  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.171  -0.195  -0.596  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.756  -1.353  -0.727  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        2.133  -1.387  -0.647  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.956  -0.334  -0.436  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        0.551   2.284  -0.352  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.418  -0.513  -0.367  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1        4.947  -1.474   0.421  0.00  0.00    +0.078 A 
ATOM     12  C   LIG    1        6.416  -1.667   0.520  0.00  0.00    +0.249 A 
ATOM     13  O   LIG    1        6.891  -2.553   1.221  0.00  0.00    -0.268 OA
ATOM     14  N   LIG    1        7.186  -0.805  -0.217  0.00  0.00    -0.329 N 
ATOM     15  H   LIG    1        8.188  -0.931  -0.142  0.00  0.00    +0.168 HD
ATOM     16  C   LIG    1        6.670   0.192  -0.999  0.00  0.00    +0.086 A 
ATOM     17  C   LIG    1        5.346   0.359  -1.090  0.00  0.00    +0.026 A 
ENDBRANCH   8  10
BRANCH   1  19
ATOM     18  N   LIG    1        1.935   5.567   0.060  0.00  0.00    -0.189 NA
ATOM     19  C   LIG    1        1.853   4.413  -0.046  0.00  0.00    +0.121 C 
ENDBRANCH   1  19
BRANCH   5  20
ATOM     20  N   LIG    1       -1.201  -0.118  -0.658  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.542  -0.995  -1.048  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.949   0.154   0.566  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.398   0.344   0.235  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.284  -0.719   0.084  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.054  -2.182   0.165  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.505  -2.663   0.192  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.348  -1.646  -0.395  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.611  -0.498  -0.267  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.116   0.768  -0.487  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.248   1.849  -0.336  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -3.910   1.631   0.018  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.102   2.694   0.146  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   5  20
TORSDOF 5