REMARK  Name = BDB023732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.776  -0.582  -1.450  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.466  -0.970  -1.631  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.318  -1.915  -0.831  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        1.284  -2.533  -1.846  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        1.556  -1.382  -2.809  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.186  -0.715  -2.911  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -2.388   0.018  -2.339  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.133  -1.241   0.275  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        1.252   0.114   0.424  0.00  0.00    -0.278 N 
ATOM     10  H   LIG    1        0.389   0.651   0.448  0.00  0.00    +0.152 HD
ATOM     11  C   LIG    1        2.167   0.321   1.559  0.00  0.00    +0.325 C 
ATOM     12  O   LIG    1        2.495  -1.034   1.979  0.00  0.00    -0.352 OA
ATOM     13  N   LIG    1        1.824  -1.957   1.118  0.00  0.00    -0.069 NA
BRANCH  11  14
ATOM     14  C   LIG    1        3.418   1.032   1.031  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.707   0.504   1.226  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        5.836   1.173   0.747  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.698   2.379   0.065  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.432   2.919  -0.140  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.302   2.254   0.338  0.00  0.00    +0.009 A 
ENDBRANCH  11  14
BRANCH  11  20
ATOM     20  C   LIG    1        1.563   1.062   2.787  0.00  0.00    +0.455 C 
ATOM     21  F   LIG    1        1.133   2.306   2.459  0.00  0.00    -0.165 F 
ATOM     22  F   LIG    1        2.462   1.205   3.793  0.00  0.00    -0.165 F 
ATOM     23  F   LIG    1        0.501   0.394   3.302  0.00  0.00    -0.165 F 
ENDBRANCH  11  20
ENDBRANCH   3   8
BRANCH   5  24
ATOM     24  O   LIG    1        2.009  -1.867  -4.061  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1        2.873  -2.291  -3.914  0.00  0.00    +0.210 HD
ENDBRANCH   5  24
BRANCH   1  26
ATOM     26  C   LIG    1       -2.443  -0.857  -0.093  0.00  0.00    +0.146 C 
BRANCH  26  31
ATOM     27  C   LIG    1       -3.333   3.911   1.553  0.00  0.00    +0.069 C 
ATOM     28  C   LIG    1       -2.861   2.531   1.302  0.00  0.00    +0.081 A 
ATOM     29  N   LIG    1       -1.818   2.040   1.981  0.00  0.00    -0.083 NA
ATOM     30  O   LIG    1       -1.640   0.752   1.523  0.00  0.00    -0.359 OA
ATOM     31  C   LIG    1       -2.557   0.482   0.557  0.00  0.00    +0.150 A 
ATOM     32  C   LIG    1       -3.362   1.583   0.384  0.00  0.00    +0.071 A 
ENDBRANCH  26  31
BRANCH  26  33
ATOM     33  C   LIG    1       -3.809  -1.563  -0.271  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -3.644  -2.905  -1.000  0.00  0.00    +0.008 C 
ATOM     35  C   LIG    1       -4.494  -1.820   1.078  0.00  0.00    +0.008 C 
ENDBRANCH  26  33
ENDBRANCH   1  26
TORSDOF 7