REMARK  Name = BDB056183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.829  -1.324  -0.685  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.240  -1.413  -2.031  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.064  -2.242  -1.977  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.113  -1.720  -1.072  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.548  -0.770  -0.082  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.870  -1.129   0.421  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.613   0.544  -0.447  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.477   1.348  -0.582  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.204   0.770  -0.660  0.00  0.00    +0.063 A 
ATOM     10 CL   LIG    1        1.869   1.859  -0.830  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1        3.041  -0.629  -0.612  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.200  -1.417  -0.498  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        5.474  -0.845  -0.418  0.00  0.00    +0.015 A 
BRANCH   7  16
ATOM     14  N   LIG    1        7.923   0.534   0.329  0.00  0.00    -0.312 N 
ATOM     15  H   LIG    1        7.665  -0.257   0.903  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        6.943   1.206  -0.371  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        7.109   2.304  -0.890  0.00  0.00    -0.270 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.225   2.073   1.733  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        9.228   1.123   0.549  0.00  0.00    +0.101 C 
ENDBRANCH  14  19
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -2.220  -1.115  -1.829  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.411  -0.755  -0.965  0.00  0.00    -0.031 A 
ATOM     22  C   LIG    1       -3.818   0.579  -0.829  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -4.919   0.895  -0.033  0.00  0.00    +0.076 A 
ATOM     24  N   LIG    1       -5.287   2.233   0.123  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1       -4.710   2.981  -0.236  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1       -6.397   2.591   0.841  0.00  0.00    +0.258 C 
ATOM     27  C   LIG    1       -7.306   1.413   1.226  0.00  0.00    +0.256 C 
ATOM     28  O   LIG    1       -6.669   0.166   1.486  0.00  0.00    -0.478 OA
ATOM     29  C   LIG    1       -8.140   1.765   2.452  0.00  0.00    +0.062 C 
ATOM     30  O   LIG    1       -6.657   3.772   1.057  0.00  0.00    -0.271 OA
ATOM     31  C   LIG    1       -5.623  -0.111   0.642  0.00  0.00    +0.146 A 
ATOM     32  C   LIG    1       -5.222  -1.448   0.529  0.00  0.00    -0.007 A 
ATOM     33  C   LIG    1       -5.942  -2.536   1.273  0.00  0.00    +0.047 C 
ATOM     34  C   LIG    1       -4.119  -1.758  -0.281  0.00  0.00    +0.012 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5