REMARK  Name = BDB059915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.929  -1.721   1.057  0.00  0.00    +0.202 A 
ATOM      2  C   LIG    1        1.474  -0.676   0.272  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1        0.119  -0.910   0.122  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.737  -0.083  -0.637  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.244   0.978  -1.214  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        1.103   1.234  -1.066  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.179  -2.040   0.843  0.00  0.00    +0.209 A 
ATOM      8  C   LIG    1        1.988   0.481  -0.377  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1        0.886  -2.566   1.404  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.380   0.956  -0.349  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        4.236   0.761  -1.430  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1        5.514   1.210  -1.483  0.00  0.00    -0.254 NA
ATOM     13  C   LIG    1        5.989   1.869  -0.391  0.00  0.00    +0.106 A 
ATOM     14  C   LIG    1        5.201   2.107   0.734  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        3.883   1.651   0.750  0.00  0.00    +0.012 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.417   2.369  -0.416  0.00  0.00    +0.390 C 
ATOM     17  F   LIG    1        8.124   2.019   0.700  0.00  0.00    -0.202 F 
ATOM     18  F   LIG    1        7.494   3.731  -0.480  0.00  0.00    -0.202 F 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  C   LIG    1        3.480  -3.583   2.407  0.00  0.00    +0.202 C 
ATOM     20  S   LIG    1        3.556  -2.014   1.586  0.00  0.00    +0.013 S 
ATOM     21  O   LIG    1        4.319  -2.156   0.362  0.00  0.00    -0.168 OA
ATOM     22  O   LIG    1        3.817  -0.977   2.564  0.00  0.00    -0.168 OA
ENDBRANCH   1  20
BRANCH   4  23
ATOM     23  N   LIG    1       -2.072  -0.418  -0.742  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -2.312  -1.399  -0.654  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.941   0.282  -1.674  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.368  -0.090  -1.395  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.056   0.389  -0.284  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.594   1.262   0.823  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -5.944   1.580   1.465  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -6.891   0.544   1.113  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.365   0.001  -0.029  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.048  -0.873  -0.852  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.381  -1.362  -1.975  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.059  -0.972  -2.235  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.444  -1.481  -3.312  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 6