REMARK  Name = BDB061627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.910  -2.326  -0.594  0.00  0.00    -0.208 N 
ATOM      2  C   LIG    1       -1.917  -1.411  -0.926  0.00  0.00    +0.351 A 
ATOM      3  O   LIG    1       -1.894  -0.666  -1.895  0.00  0.00    -0.244 OA
ATOM      4  N   LIG    1       -2.876  -1.550   0.066  0.00  0.00    -0.250 N 
ATOM      5  C   LIG    1       -2.365  -2.484   0.902  0.00  0.00    +0.230 A 
ATOM      6  N   LIG    1       -1.212  -2.976   0.575  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.104  -0.855   0.196  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -4.514   0.096  -0.749  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.732   0.785  -0.624  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -6.574   0.537   0.455  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1       -6.180  -0.407   1.402  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.965  -1.094   1.277  0.00  0.00    +0.030 A 
BRANCH  10  13
ATOM     13  O   LIG    1       -7.778   1.126   0.705  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -8.244   2.096  -0.218  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1       -7.396   3.144  -0.293  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1       -8.409   1.560  -1.446  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1       -9.443   2.554   0.205  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.361  -2.455  -1.263  0.00  0.00    +0.184 C 
BRANCH  18  23
ATOM     19  C   LIG    1        3.301   0.227   0.420  0.00  0.00    +0.140 A 
ATOM     20  C   LIG    1        3.093  -1.035   0.988  0.00  0.00    +0.083 A 
ATOM     21 CL   LIG    1        3.969  -1.552   2.383  0.00  0.00    -0.080 Cl
ATOM     22  C   LIG    1        2.155  -1.909   0.432  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        1.398  -1.523  -0.684  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1        1.572  -0.234  -1.209  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.511   0.638  -0.654  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     26  O   LIG    1        4.184   1.103   0.985  0.00  0.00    -0.474 OA
BRANCH  26  28
ATOM     27  C   LIG    1        5.351   2.365  -0.752  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1        5.462   1.284   0.329  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1        6.082  -0.004  -0.234  0.00  0.00    +0.067 C 
BRANCH  28  30
ATOM     30  C   LIG    1        6.389   1.827   1.433  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1        6.093   2.126   2.580  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        7.670   1.996   1.031  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        8.113   2.339   1.837  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 9