REMARK  Name = BDB041271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.280  -0.159  -1.609  0.00  0.00    -0.289 NA
ATOM      2  C   LIG    1       -1.700   0.201  -1.386  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1       -1.597  -0.249   0.088  0.00  0.00    +0.202 C 
ATOM      4  C   LIG    1       -0.312  -0.973  -0.367  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        0.619   1.010  -1.484  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.485   1.918  -2.719  0.00  0.00    +0.029 C 
BRANCH   5  16
ATOM      7  C   LIG    1        6.938  -0.070  -0.233  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        6.432   0.963   0.730  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        7.160   1.475   1.575  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        5.112   1.319   0.629  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        4.791   2.014   1.289  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        4.243   0.777  -0.324  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.711  -0.172  -1.230  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        3.945  -0.742  -2.182  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        2.650  -0.345  -2.225  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        2.079   0.597  -1.364  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        2.911   1.170  -0.392  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        6.108  -0.584  -1.159  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        8.651  -1.418   1.017  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        8.388  -0.455  -0.133  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   5  16
ENDBRANCH   1   5
BRANCH   3  21
ATOM     21  O   LIG    1       -2.639  -1.105   0.606  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.884  -0.581   0.837  0.00  0.00    +0.175 A 
ATOM     23  C   LIG    1       -4.927  -1.483   1.064  0.00  0.00    +0.256 A 
ATOM     24  F   LIG    1       -4.663  -2.799   1.035  0.00  0.00    -0.180 F 
ATOM     25  N   LIG    1       -6.209  -1.133   1.312  0.00  0.00    -0.211 NA
ATOM     26  C   LIG    1       -6.461   0.201   1.339  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1       -5.493   1.179   1.136  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -4.181   0.778   0.882  0.00  0.00    +0.052 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -7.878   0.603   1.616  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1       -8.750  -0.454   1.766  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -8.336  -1.384   1.765  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1      -10.122  -0.273   2.153  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -8.198   1.782   1.704  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6