REMARK  Name = BDB013759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.710   0.547  -0.712  0.00  0.00    +0.145 A 
ATOM      2  C   LIG    1       -0.765   0.792  -0.648  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.694  -0.371  -0.442  0.00  0.00    +0.144 C 
ATOM      4  N   LIG    1       -3.067   0.079  -0.149  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1       -3.543   1.170  -1.017  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -2.657   2.403  -0.815  0.00  0.00    +0.060 C 
ATOM      7  C   LIG    1       -1.197   2.052  -0.812  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.240   3.158  -1.034  0.00  0.00    +0.271 A 
ATOM      9  O   LIG    1       -0.649   4.314  -1.119  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1        1.088   2.788  -1.152  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1        2.105   3.800  -1.364  0.00  0.00    +0.176 C 
ATOM     12  N   LIG    1        1.552   1.514  -0.966  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1       -4.029  -0.881   0.192  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -5.215  -0.479   0.835  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -6.201  -1.398   1.212  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -6.013  -2.750   0.958  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -7.217  -3.887   1.417  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -4.847  -3.184   0.339  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -3.864  -2.257  -0.033  0.00  0.00    +0.024 A 
ENDBRANCH   4  13
BRANCH   1  20
ATOM     20  N   LIG    1        1.221  -0.724  -0.513  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        0.666  -1.372   0.031  0.00  0.00    +0.148 HD
BRANCH  20  23
ATOM     22  C   LIG    1        2.879  -2.486  -0.682  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1        2.663  -0.993  -0.424  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.203  -0.564   0.970  0.00  0.00    +0.105 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.629  -0.866   1.222  0.00  0.00    -0.307 NA
ATOM     26  C   LIG    1        4.949  -0.615   2.631  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1        5.503  -0.056   0.369  0.00  0.00    +0.104 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5