REMARK  Name = BDB018577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.772   5.658  -0.305  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.734   4.659  -0.100  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -0.406   5.057  -0.066  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -0.007   6.211  -0.195  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.584   3.972   0.140  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.201   2.692   0.301  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.230   2.339   0.271  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.114   3.339   0.067  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.299   1.718   0.453  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.045   1.636   1.624  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1        3.046   0.748   1.829  0.00  0.00    -0.259 NA
ATOM     12  C   LIG    1        3.342  -0.111   0.824  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        2.648  -0.096  -0.386  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        1.620   0.827  -0.571  0.00  0.00    +0.012 A 
BRANCH  12  15
ATOM     15  C   LIG    1        4.455  -1.097   1.093  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        3.949  -2.545   1.210  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        5.055  -3.390   0.596  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        5.542  -2.532  -0.558  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        5.562  -1.122   0.021  0.00  0.00    +0.010 C 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1       -1.692   0.990   0.445  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -2.649   0.358  -0.320  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -2.826  -0.908   0.194  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1       -1.953  -1.135   1.212  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -1.304   0.018   1.379  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.726  -1.946  -0.206  0.00  0.00    +0.085 A 
ATOM     26  C   LIG    1       -4.859  -1.744  -1.016  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1       -5.646  -2.851  -1.366  0.00  0.00    +0.143 A 
ATOM     28  F   LIG    1       -6.731  -2.687  -2.138  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1       -5.350  -4.137  -0.925  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -4.251  -4.338  -0.102  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.449  -3.253   0.258  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -5.334  -0.469  -1.457  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1       -5.707   0.575  -1.803  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 5