REMARK  Name = BDB019412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.545  -1.903   0.479  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1       -0.801  -0.933   0.343  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.585  -2.810   0.497  0.00  0.00    +0.234 C 
ATOM      4  O   LIG    1       -1.455  -3.962   0.907  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.867  -2.335  -0.214  0.00  0.00    +0.164 C 
ATOM      6  N   LIG    1       -2.989  -0.864  -0.288  0.00  0.00    -0.286 N 
ATOM      7  C   LIG    1       -3.252  -0.136   0.854  0.00  0.00    +0.242 C 
ATOM      8  O   LIG    1       -3.384  -0.723   1.933  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -2.951  -0.415  -1.676  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1       -3.400  -1.642  -2.465  0.00  0.00    +0.134 C 
ATOM     11  C   LIG    1       -2.823  -2.806  -1.675  0.00  0.00    +0.065 C 
BRANCH  10  12
ATOM     12  O   LIG    1       -4.824  -1.729  -2.496  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1       -5.162  -1.606  -1.591  0.00  0.00    +0.210 HD
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1       -3.367   1.388   0.827  0.00  0.00    +0.243 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.841   1.742   0.593  0.00  0.00    +0.413 C 
ATOM     16  F   LIG    1       -4.985   3.092   0.559  0.00  0.00    -0.168 F 
ATOM     17  F   LIG    1       -5.299   1.273  -0.588  0.00  0.00    -0.168 F 
ATOM     18  F   LIG    1       -5.649   1.280   1.568  0.00  0.00    -0.168 F 
ENDBRANCH  14  15
BRANCH  14  19
ATOM     19  N   LIG    1       -2.322   2.017  -0.054  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1       -2.106   2.941   0.333  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -2.745   2.231  -0.960  0.00  0.00    +0.119 HD
ENDBRANCH  14  19
ENDBRANCH   7  14
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  C   LIG    1        0.669  -2.175   1.207  0.00  0.00    +0.139 C 
BRANCH  22  26
ATOM     23  C   LIG    1        3.520   0.991   0.463  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        2.671   1.045   1.576  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        1.756   0.017   1.822  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        1.680  -1.088   0.964  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        2.523  -1.138  -0.153  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        3.438  -0.111  -0.398  0.00  0.00    +0.009 A 
BRANCH  23  31
ATOM     29  C   LIG    1        6.741   0.813   0.281  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1        5.872   2.008   0.105  0.00  0.00    +0.053 A 
ATOM     31  C   LIG    1        4.488   2.056   0.203  0.00  0.00    +0.042 A 
ATOM     32  S   LIG    1        3.948   3.667  -0.066  0.00  0.00    -0.075 S 
ATOM     33  C   LIG    1        5.571   4.159  -0.292  0.00  0.00    +0.156 A 
ATOM     34  N   LIG    1        6.483   3.221  -0.182  0.00  0.00    -0.252 NA
ENDBRANCH  23  31
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 8