REMARK  Name = BDB015495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.019   1.291   1.012  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.173   1.889   1.042  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.203   1.115   0.682  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.115  -0.172   0.306  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.110  -0.734   0.320  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.230  -0.028   0.696  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.192  -2.163  -0.075  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.846  -2.972   0.210  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.851  -4.318  -0.118  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.017  -5.109   0.245  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.216  -4.936  -0.767  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        0.253  -6.130  -1.055  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        1.367  -4.044  -1.121  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.505  -4.675  -1.857  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        1.323  -2.744  -0.784  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.046   2.165   1.455  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        1.577   3.046   1.684  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.262   2.478   0.320  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.750   1.226  -0.217  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.773   3.535  -0.536  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.525   3.150   1.394  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.838   4.126   1.516  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.764   3.554   0.606  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  O   LIG    1       -2.442   1.748   0.698  0.00  0.00    -0.422 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.532   0.944   0.450  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1       -4.114   0.965  -0.831  0.00  0.00    -0.004 A 
ATOM     27  C   LIG    1       -5.250   0.173  -1.066  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -5.795  -0.615  -0.051  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.222  -0.613   1.220  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -4.096   0.171   1.476  0.00  0.00    +0.084 A 
ATOM     31 CL   LIG    1       -3.446   0.169   3.076  0.00  0.00    -0.080 Cl
BRANCH  26  32
ATOM     32  C   LIG    1       -3.567   1.827  -1.943  0.00  0.00    +0.035 C 
ATOM     33  C   LIG    1       -4.064   3.261  -1.848  0.00  0.00    +0.009 C 
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8