REMARK  Name = BDB030085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.290  -2.434   1.904  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.413  -3.387   1.556  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        0.430  -1.515   1.158  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        0.306  -0.303   1.335  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.361  -2.034   0.123  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.409  -3.380  -0.239  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        0.587  -4.268   0.347  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        2.302  -3.812  -1.218  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        2.356  -5.473  -1.674  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        3.155  -2.903  -1.843  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        3.122  -1.544  -1.500  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        2.218  -1.120  -0.515  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        4.023  -0.619  -2.172  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        5.010  -1.034  -3.038  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        5.603   0.062  -3.455  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        5.040   1.171  -2.896  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        5.428   2.536  -3.142  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        4.034   0.757  -2.067  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -1.492  -1.856   2.660  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -1.318  -0.879   2.936  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.988  -2.006   1.827  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -3.801  -2.951   2.562  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -2.697  -2.204   0.420  0.00  0.00    -0.152 OA
BRANCH  21  26
ATOM     24  C   LIG    1       -3.743   1.945   1.329  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -3.205   0.656   1.219  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1       -3.676  -0.387   2.027  0.00  0.00    +0.109 A 
ATOM     27  C   LIG    1       -4.682  -0.168   2.966  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1       -5.198   1.116   3.112  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.723   2.161   2.309  0.00  0.00    +0.023 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -3.893   4.220   0.389  0.00  0.00    +0.125 C 
ATOM     31  N   LIG    1       -3.179   2.969   0.566  0.00  0.00    -0.347 N 
ATOM     32  H   LIG    1       -2.762   2.624  -0.296  0.00  0.00    +0.146 HD
ENDBRANCH  24  31
ENDBRANCH  21  26
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6