REMARK  Name = BDB018751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.995   0.762   2.313  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -4.664   1.442   2.384  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -3.927   1.099   1.080  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.016   2.245   0.070  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.879   3.118   0.107  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.140   2.198  -0.985  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -3.301   2.875  -1.721  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.031   1.351  -1.048  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -1.676   0.598   0.073  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -0.549  -0.232   0.015  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        0.222  -0.327  -1.157  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -0.158   0.447  -2.267  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.274   1.287  -2.213  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -2.452   0.774   1.350  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -4.700  -0.116   0.543  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.134   0.157   0.969  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.402  -1.205  -1.215  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        2.666  -0.695  -1.562  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        3.796  -1.520  -1.598  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        3.659  -2.881  -1.340  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        2.414  -3.407  -0.995  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        1.297  -2.574  -0.926  0.00  0.00    +0.008 A 
BRANCH  19  23
ATOM     23  N   LIG    1        5.040  -0.940  -1.976  0.00  0.00    -0.220 N 
ATOM     24  H   LIG    1        5.024  -0.028  -2.427  0.00  0.00    +0.173 HD
BRANCH  23  25
ATOM     25  S   LIG    1        6.465  -1.190  -1.115  0.00  0.00    +0.046 S 
ATOM     26  O   LIG    1        7.473  -0.469  -1.865  0.00  0.00    -0.155 OA
ATOM     27  O   LIG    1        6.631  -2.596  -0.823  0.00  0.00    -0.155 OA
BRANCH  25  28
ATOM     28  C   LIG    1        6.446  -0.348   0.492  0.00  0.00    +0.151 C 
ATOM     29  C   LIG    1        5.429   0.746   0.666  0.00  0.00    +0.030 C 
ATOM     30  C   LIG    1        5.242  -0.578   1.360  0.00  0.00    +0.030 C 
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  32
ATOM     31  N   LIG    1       -7.935   1.385   3.757  0.00  0.00    -0.174 NA
ATOM     32  C   LIG    1       -7.037   1.100   3.085  0.00  0.00    +0.169 C 
ENDBRANCH   1  32
TORSDOF 5