REMARK  Name = BDB055824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.678  -1.482   0.440  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -2.468  -0.190  -0.064  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -1.201   0.402   0.013  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -0.150  -0.277   0.631  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.363  -1.545   1.167  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.615  -2.151   1.068  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -4.845  -1.859  -0.632  0.00  0.00    -0.312 N 
ATOM      8  H   LIG    1       -4.585  -1.123  -1.276  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -3.988  -2.188   0.394  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -4.251  -3.027   1.250  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -7.165  -1.616   0.114  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -6.180  -2.410  -0.724  0.00  0.00    +0.101 C 
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  N   LIG    1        0.716  -2.262   1.754  0.00  0.00    -0.216 N 
ATOM     14  H   LIG    1        0.506  -2.844   2.567  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        1.776  -3.083   0.717  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        2.486  -4.036   1.542  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.055  -3.501  -0.466  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.933  -1.817   0.267  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        3.820  -1.330   1.225  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        4.730  -0.330   0.873  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.780   0.197  -0.435  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        3.880  -0.327  -1.381  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.965  -1.328  -1.038  0.00  0.00    +0.029 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.800   1.297  -0.782  0.00  0.00    -0.013 C 
ATOM     25  C   LIG    1        7.232   0.770  -0.546  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        5.558   2.531   0.114  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1        5.726   1.778  -2.249  0.00  0.00    +0.015 C 
ENDBRANCH  21  24
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   2  28
ATOM     28  O   LIG    1       -3.482   0.497  -0.691  0.00  0.00    -0.454 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -3.956   1.625  -0.064  0.00  0.00    +0.148 A 
ATOM     30  C   LIG    1       -4.437   2.642  -0.888  0.00  0.00    +0.069 A 
ATOM     31  C   LIG    1       -4.954   3.796  -0.309  0.00  0.00    +0.063 A 
ATOM     32 CL   LIG    1       -5.544   5.073  -1.291  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1       -4.980   3.891   1.074  0.00  0.00    +0.131 A 
ATOM     34  N   LIG    1       -4.535   2.915   1.903  0.00  0.00    -0.258 NA
ATOM     35  C   LIG    1       -4.042   1.798   1.315  0.00  0.00    +0.157 A 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 8