REMARK  Name = BDB030012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.477  -1.569  -0.591  0.00  0.00    -0.112 NA
ATOM      2  H   LIG    1        0.677  -0.570  -0.411  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -1.010  -1.848  -0.342  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.401  -2.622  -0.887  0.00  0.00    +0.171 HD
ATOM      5  C   LIG    1       -1.780  -0.743  -0.025  0.00  0.00    +0.262 C 
ATOM      6  O   LIG    1       -1.260   0.324   0.299  0.00  0.00    -0.269 OA
BRANCH   5   7
ATOM      7  C   LIG    1       -3.259  -0.880  -0.098  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -3.884  -2.052  -0.522  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -3.153  -3.118  -0.887  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -5.276  -2.127  -0.573  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -6.050  -3.577  -1.092  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -6.061  -1.034  -0.204  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -5.456   0.154   0.223  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -4.052   0.217   0.273  0.00  0.00    +0.026 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -6.236   1.316   0.621  0.00  0.00    +0.089 A 
ATOM     16  N   LIG    1       -5.677   2.417   1.229  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1       -6.668   3.255   1.430  0.00  0.00    +0.199 A 
ATOM     18  N   LIG    1       -7.846   2.742   0.977  0.00  0.00    -0.339 N 
ATOM     19  C   LIG    1       -9.127   3.398   1.033  0.00  0.00    +0.150 C 
ATOM     20  C   LIG    1       -7.593   1.503   0.456  0.00  0.00    +0.115 A 
ENDBRANCH  13  15
ENDBRANCH   5   7
ENDBRANCH   1   3
BRANCH   1  21
ATOM     21  S   LIG    1        1.006  -1.990  -2.146  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.102  -3.018  -2.624  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.190  -0.763  -2.884  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.592  -2.747  -1.844  0.00  0.00    +0.192 C 
BRANCH  24  32
ATOM     25  N   LIG    1        6.125   1.453   0.734  0.00  0.00    -0.300 N 
ATOM     26  H   LIG    1        5.740   1.151   1.613  0.00  0.00    +0.150 HD
ATOM     27  C   LIG    1        5.426   1.105  -0.393  0.00  0.00    +0.302 C 
ATOM     28  N   LIG    1        4.646  -0.019  -0.262  0.00  0.00    -0.285 N 
ATOM     29  C   LIG    1        4.559  -0.915   0.884  0.00  0.00    +0.113 C 
ATOM     30  C   LIG    1        3.499  -1.949   0.487  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        3.707  -3.289   1.174  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1        3.649  -1.992  -1.046  0.00  0.00    +0.033 C 
ATOM     33  C   LIG    1        3.879  -0.522  -1.392  0.00  0.00    +0.114 C 
ATOM     34  O   LIG    1        5.511   1.732  -1.445  0.00  0.00    -0.253 OA
BRANCH  25  36
ATOM     35  C   LIG    1        6.132   3.901   0.984  0.00  0.00    +0.024 C 
ATOM     36  C   LIG    1        6.952   2.642   0.762  0.00  0.00    +0.102 C 
ENDBRANCH  25  36
ENDBRANCH  24  32
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 7