REMARK  Name = BDB040591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.733  -0.344  -1.895  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.703   0.106  -1.841  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.028   1.458  -1.744  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.367   1.868  -1.676  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.615   3.581  -1.538  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.440   0.940  -1.701  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.086  -0.424  -1.756  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.228  -1.720  -1.701  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.742  -0.827  -1.830  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.876   1.464  -1.644  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.909   0.705  -2.463  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.827   0.592  -3.686  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.952   0.129  -1.777  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.617  -0.380  -2.344  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.061  -0.074  -0.425  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.962  -0.765   0.042  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.982   0.529   0.438  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.370   1.752  -0.220  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.334  -1.738   0.064  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.256  -0.513  -0.562  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.581   0.307  -0.054  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.996  -2.780  -0.493  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        1.937  -3.131   2.075  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        1.835  -1.693   1.524  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        0.775  -0.965   2.381  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.168  -0.945   1.575  0.00  0.00    +0.074 A 
ATOM     27  N   LIG    1        3.114   0.418   1.609  0.00  0.00    -0.256 NA
ATOM     28  C   LIG    1        4.298   1.075   1.629  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        5.521   0.420   1.593  0.00  0.00    +0.065 A 
ATOM     30  N   LIG    1        5.588  -0.929   1.518  0.00  0.00    -0.256 NA
ATOM     31  C   LIG    1        4.401  -1.588   1.506  0.00  0.00    +0.135 A 
BRANCH  29  32
ATOM     32  C   LIG    1        6.814   1.174   1.604  0.00  0.00    +0.128 C 
BRANCH  32  33
ATOM     33  C   LIG    1        7.355   1.308   0.198  0.00  0.00    +0.347 C 
ATOM     34  F   LIG    1        8.565   1.929   0.244  0.00  0.00    -0.209 F 
ATOM     35  F   LIG    1        6.543   2.121  -0.530  0.00  0.00    -0.209 F 
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 7