REMARK  Name = BDB030138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.599  -0.929   0.049  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.652  -1.394  -0.863  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        0.566  -0.290   0.439  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        0.557   0.576   1.312  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.831  -0.675  -0.241  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.875  -1.609  -1.274  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        0.748  -2.202  -1.702  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.089  -1.934  -1.878  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        3.144  -3.092  -3.153  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.275  -1.330  -1.459  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.257  -0.387  -0.423  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.027  -0.070   0.179  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.470   0.265   0.046  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        5.498   1.075   1.160  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        6.741   1.484   1.272  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.520   0.973   0.277  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        8.927   1.225   0.102  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.728   0.191  -0.517  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -1.906  -0.252   0.500  0.00  0.00    -0.107 NA
ATOM     20  H   LIG    1       -1.692   0.495   1.184  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.797   0.450  -0.791  0.00  0.00    +0.079 S 
ATOM     22  O   LIG    1       -2.662   1.885  -0.688  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -2.382  -0.266  -1.981  0.00  0.00    -0.152 OA
BRANCH  21  28
ATOM     24  C   LIG    1       -7.070  -0.612   0.334  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1       -6.585  -0.910  -0.942  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -5.276  -0.588  -1.296  0.00  0.00    +0.156 A 
ATOM     27  F   LIG    1       -4.873  -0.878  -2.539  0.00  0.00    -0.203 F 
ATOM     28  C   LIG    1       -4.439   0.029  -0.383  0.00  0.00    +0.177 A 
ATOM     29  C   LIG    1       -4.920   0.334   0.883  0.00  0.00    +0.156 A 
ATOM     30  F   LIG    1       -4.140   0.942   1.788  0.00  0.00    -0.203 F 
ATOM     31  C   LIG    1       -6.228   0.017   1.250  0.00  0.00    +0.086 A 
BRANCH  24  33
ATOM     32  C   LIG    1       -8.913  -0.693   1.837  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -8.367  -0.980   0.554  0.00  0.00    -0.495 OA
ENDBRANCH  24  33
ENDBRANCH  21  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6