REMARK  Name = BDB030137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.309   0.944   0.391  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.056   1.160  -0.155  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.833   0.842  -1.103  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -2.493   0.991   1.606  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -5.821   0.189  -0.826  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -4.718   0.478  -0.003  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -3.430   0.643  -0.539  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -3.251   0.516  -1.915  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -2.032   0.662  -2.458  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -4.337   0.231  -2.742  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -4.118   0.078  -4.445  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -5.616   0.069  -2.206  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1      -10.629  -0.765  -0.024  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -9.247  -0.389   0.128  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -8.289  -0.403  -0.848  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -7.136   0.030  -0.226  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -7.389   0.301   1.101  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -8.663   0.040   1.282  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        0.116   1.111   0.835  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.250   1.058   1.801  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.179  -0.204   0.565  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.158  -0.466  -0.860  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        0.829  -1.220   1.532  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.735   0.551   1.036  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.910  -0.439   1.009  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        4.440  -0.698  -0.417  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        5.677   0.138  -0.740  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        6.864  -0.173   0.206  0.00  0.00    -0.035 C 
ATOM     29  C   LIG    1        7.758   1.078   0.301  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1        7.712  -1.322  -0.369  0.00  0.00    +0.011 C 
ATOM     31  C   LIG    1        6.367  -0.576   1.618  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        5.023   0.064   1.951  0.00  0.00    +0.006 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6