REMARK  Name = BDB030156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.945  -0.011   0.607  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.887  -0.998   0.338  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        2.133   0.682   0.450  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.151   1.910   0.384  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.390  -0.106   0.348  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.406  -1.499   0.355  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.258  -2.191   0.452  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.613  -2.190   0.257  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.633  -3.913   0.271  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.821  -1.498   0.149  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.831  -0.099   0.138  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.608   0.587   0.240  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        7.067   0.662   0.032  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        7.118   2.028   0.197  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.377   2.360   0.027  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        9.144   1.266  -0.243  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       10.563   1.273  -0.488  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        8.326   0.170  -0.245  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.333   0.805   0.337  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -0.087   1.801   0.209  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.191   0.294  -1.062  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1       -0.759  -1.059  -1.346  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -1.056   1.376  -2.011  0.00  0.00    -0.152 OA
BRANCH  21  28
ATOM     24  C   LIG    1       -5.549   0.140   0.246  0.00  0.00    +0.123 A 
ATOM     25  C   LIG    1       -5.204   0.169  -1.104  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -3.860   0.209  -1.476  0.00  0.00    +0.153 A 
ATOM     27  F   LIG    1       -3.565   0.217  -2.783  0.00  0.00    -0.203 F 
ATOM     28  C   LIG    1       -2.858   0.224  -0.514  0.00  0.00    +0.142 A 
ATOM     29  C   LIG    1       -3.190   0.192   0.841  0.00  0.00    +0.035 A 
ATOM     30  C   LIG    1       -4.537   0.151   1.212  0.00  0.00    +0.048 A 
BRANCH  24  31
ATOM     31  O   LIG    1       -6.817   0.102   0.752  0.00  0.00    -0.490 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -7.898   0.039  -0.183  0.00  0.00    +0.257 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -9.220  -0.014   0.589  0.00  0.00    +0.200 C 
BRANCH  33  35
ATOM     34  C   LIG    1       -9.719  -2.348   0.582  0.00  0.00    +0.194 C 
ATOM     35  O   LIG    1       -9.378  -1.210   1.359  0.00  0.00    -0.380 OA
ENDBRANCH  33  35
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  21  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 9