REMARK  Name = BDB030155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.709  -3.634  -0.911  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.881  -3.602  -1.920  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.080  -2.586  -0.087  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        0.562  -2.432   1.018  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.108  -1.638  -0.590  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.596  -1.684  -1.895  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.135  -2.602  -2.761  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.564  -0.773  -2.316  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.168  -0.829  -3.930  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.061   0.192  -1.438  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        3.591   0.254  -0.120  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        2.609  -0.665   0.290  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        4.075   1.247   0.826  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        3.481   1.466   2.049  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        4.173   2.426   2.617  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        5.196   2.836   1.814  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        6.165   3.853   2.133  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        5.153   2.093   0.666  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.554  -4.388  -0.494  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -0.768  -4.226   0.500  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.921  -4.091  -1.484  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1       -2.822  -5.213  -1.315  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -1.448  -3.706  -2.798  0.00  0.00    -0.152 OA
BRANCH  21  28
ATOM     24  C   LIG    1       -3.885  -0.455   0.437  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -2.767  -0.299  -0.381  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -2.165  -1.419  -0.956  0.00  0.00    +0.153 A 
ATOM     27  F   LIG    1       -1.088  -1.227  -1.729  0.00  0.00    -0.203 F 
ATOM     28  C   LIG    1       -2.661  -2.693  -0.706  0.00  0.00    +0.142 A 
ATOM     29  C   LIG    1       -3.775  -2.861   0.122  0.00  0.00    +0.035 A 
ATOM     30  C   LIG    1       -4.374  -1.738   0.700  0.00  0.00    +0.048 A 
BRANCH  24  31
ATOM     31  O   LIG    1       -4.546   0.560   1.069  0.00  0.00    -0.489 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -6.019   2.343   0.507  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -4.581   1.835   0.413  0.00  0.00    +0.167 C 
ATOM     34  C   LIG    1       -3.632   2.792   1.130  0.00  0.00    +0.051 C 
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  21  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7