REMARK  Name = BDB003132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.048  -2.589  -0.335  0.00  0.00    -0.306 N 
ATOM      2  C   LIG    1        3.095  -1.713  -0.431  0.00  0.00    +0.192 A 
ATOM      3  N   LIG    1        3.199  -1.277  -1.663  0.00  0.00    -0.122 NA
ATOM      4  N   LIG    1        2.187  -1.842  -2.393  0.00  0.00    -0.133 NA
ATOM      5  C   LIG    1        1.484  -2.620  -1.592  0.00  0.00    +0.136 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        0.612  -2.567   1.674  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1        1.621  -3.330   0.833  0.00  0.00    +0.122 C 
ENDBRANCH   1   7
BRANCH   2   8
ATOM      8  S   LIG    1        4.095  -1.242   0.897  0.00  0.00    -0.081 S 
BRANCH   8   9
ATOM      9  C   LIG    1        4.511   0.461   0.414  0.00  0.00    +0.112 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.353   1.413   0.604  0.00  0.00    -0.036 A 
ATOM     11  C   LIG    1        2.538   1.770  -0.483  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        1.452   2.634  -0.311  0.00  0.00    +0.060 A 
ATOM     13 CL   LIG    1        0.498   3.015  -1.701  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1        1.173   3.154   0.956  0.00  0.00    +0.059 A 
ATOM     15 CL   LIG    1       -0.137   4.243   1.243  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1        1.974   2.800   2.045  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        3.056   1.933   1.871  0.00  0.00    +0.006 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
BRANCH   5  18
ATOM     18  C   LIG    1        0.272  -3.398  -1.984  0.00  0.00    +0.095 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.706  -2.552  -2.806  0.00  0.00    +0.112 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.242  -1.413  -2.079  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -0.740  -0.537  -2.164  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1       -2.166  -1.573  -1.069  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1       -2.589  -2.671  -0.721  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -2.604  -0.340  -0.360  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -2.591   0.918  -0.973  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -3.032   2.049  -0.274  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -3.497   1.930   1.037  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1       -3.508   0.673   1.646  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -3.073  -0.458   0.952  0.00  0.00    +0.016 A 
BRANCH  27  30
ATOM     30  O   LIG    1       -3.960   2.949   1.821  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1       -4.158   4.207   1.187  0.00  0.00    +0.277 C 
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 9