REMARK  Name = BDB029951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.718  -1.608  -0.016  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.849  -2.482  -0.535  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.754  -0.699   0.101  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -1.543   0.481   0.382  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.139  -1.184  -0.137  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.427  -2.509  -0.460  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -2.437  -3.408  -0.579  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.746  -2.911  -0.666  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -5.104  -4.549  -1.062  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.788  -1.991  -0.553  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.524  -0.652  -0.232  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.193  -0.259  -0.025  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.633   0.283  -0.123  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -7.949  -0.104  -0.246  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -8.658   0.993  -0.097  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -7.855   2.074   0.116  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -8.304   3.427   0.318  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -6.557   1.642   0.103  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.687  -0.997  -0.127  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.634   0.018   0.059  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.421  -1.245  -1.648  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.807  -2.430  -2.213  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.396   0.023  -2.339  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.098  -1.643  -1.175  0.00  0.00    +0.191 C 
BRANCH  24  31
ATOM     25  C   LIG    1        9.019   1.567   1.681  0.00  0.00    +0.129 C 
ATOM     26  N   LIG    1        7.624   1.321   1.410  0.00  0.00    -0.302 N 
ATOM     27  H   LIG    1        6.987   1.481   2.172  0.00  0.00    +0.150 HD
ATOM     28  C   LIG    1        7.268   0.317   0.546  0.00  0.00    +0.302 C 
ATOM     29  N   LIG    1        5.913   0.136   0.402  0.00  0.00    -0.285 N 
ATOM     30  C   LIG    1        5.404  -0.835  -0.550  0.00  0.00    +0.114 C 
ATOM     31  C   LIG    1        3.941  -0.443  -0.768  0.00  0.00    +0.030 C 
ATOM     32  C   LIG    1        3.571   0.194   0.574  0.00  0.00    +0.026 C 
ATOM     33  C   LIG    1        4.841   0.938   0.964  0.00  0.00    +0.109 C 
ATOM     34  O   LIG    1        8.092  -0.353  -0.068  0.00  0.00    -0.253 OA
ENDBRANCH  24  31
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6