REMARK  Name = BDB048002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.241  -1.096  -0.463  0.00  0.00    +0.231 A 
ATOM      2  C   LIG    1       -3.000  -1.998  -1.466  0.00  0.00    +0.134 A 
ATOM      3  C   LIG    1       -1.690  -2.072  -1.863  0.00  0.00    +0.132 A 
ATOM      4  N   LIG    1       -0.705  -1.324  -1.330  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -1.034  -0.459  -0.362  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1       -2.289  -0.320   0.090  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -4.066  -2.828  -2.072  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -5.036  -2.094  -2.683  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -4.700  -3.630  -1.174  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -3.594  -3.672  -3.036  0.00  0.00    -0.166 F 
ENDBRANCH   2   7
BRANCH   5  11
ATOM     11  N   LIG    1       -0.092   0.361   0.250  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -0.551   0.929   0.947  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1        1.282   0.560   0.081  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        1.932   1.485   0.920  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        3.304   1.731   0.814  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.051   1.043  -0.140  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        3.433   0.123  -0.987  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        2.059  -0.113  -0.870  0.00  0.00    +0.024 A 
BRANCH  16  19
ATOM     19  S   LIG    1        5.799   1.337  -0.283  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1        6.170   2.261   0.770  0.00  0.00    -0.243 OA
ATOM     21  N   LIG    1        6.085   1.557  -1.777  0.00  0.00    -0.248 NA
ATOM     22  H   LIG    1        5.674   2.437  -2.091  0.00  0.00    +0.197 HD
BRANCH  19  23
ATOM     23  C   LIG    1        6.528  -0.284   0.119  0.00  0.00    +0.092 C 
ATOM     24  C   LIG    1        7.913  -0.204   0.704  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        6.740  -0.546   1.585  0.00  0.00    +0.019 C 
ENDBRANCH  19  23
ENDBRANCH  16  19
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  26
ATOM     26  O   LIG    1       -4.547  -0.955  -0.048  0.00  0.00    -0.470 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.766  -0.194   1.149  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -5.689  -1.039   2.031  0.00  0.00    +0.055 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -4.595   2.031  -0.121  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -5.430   1.160   0.811  0.00  0.00    +0.152 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -5.690   1.903   2.005  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1       -4.835   2.178   2.379  0.00  0.00    +0.210 HD
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9