REMARK  Name = BDB015551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.316   1.771   0.009  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.518   1.181   0.065  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        1.566  -0.139  -0.211  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.440  -0.857  -0.545  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.734  -0.149  -0.538  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.838   1.156  -0.291  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.900  -0.789  -0.149  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        3.983  -0.082  -0.522  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        5.261  -0.617  -0.503  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        6.365   0.225  -0.938  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        5.521  -1.925  -0.100  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        6.637  -2.439  -0.095  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        4.331  -2.716   0.353  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.591  -4.106   0.837  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        3.112  -2.151   0.319  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -1.992  -0.718  -0.870  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -2.650   0.065  -0.893  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.568  -1.861   0.238  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -1.496  -2.778   0.565  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.269  -1.125   1.267  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.769  -2.755  -0.770  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -4.378  -3.895   0.043  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -4.862  -1.835  -1.303  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        0.319   3.127   0.318  0.00  0.00    -0.422 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -1.258   3.353   2.695  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1       -1.684   3.923   1.372  0.00  0.00    -0.004 A 
ATOM     27  C   LIG    1       -0.894   3.769   0.217  0.00  0.00    +0.153 A 
ATOM     28  C   LIG    1       -1.305   4.316  -1.009  0.00  0.00    +0.086 A 
ATOM     29 CL   LIG    1       -0.328   4.189  -2.427  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1       -2.524   4.981  -1.103  0.00  0.00    +0.062 A 
ATOM     31  C   LIG    1       -3.318   5.103   0.031  0.00  0.00    +0.125 A 
ATOM     32  F   LIG    1       -4.495   5.737  -0.058  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -2.914   4.585   1.258  0.00  0.00    +0.045 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6