REMARK  Name = BDB034726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.209   1.651  -5.147  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.594   1.477  -3.864  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.241   1.017  -2.711  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.301   0.959  -1.684  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.631   0.524  -0.415  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.960   0.134  -0.174  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -3.904   0.208  -1.227  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -0.072   1.395  -2.201  0.00  0.00    -0.290 N 
ATOM      9  C   LIG    1       -3.551   0.647  -2.511  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -0.233   1.706  -3.569  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        0.636   2.082  -4.339  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -3.314  -0.276   1.129  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -2.529  -0.663   1.651  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.537  -0.206   1.833  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -4.864  -1.153   2.822  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -6.103  -1.051   3.442  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -6.637  -2.139   4.668  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -7.023  -0.102   3.159  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -6.694   0.793   2.211  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -5.488   0.776   1.529  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.955  -2.197   3.175  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -3.179  -3.018   3.440  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1        1.173   1.446  -1.475  0.00  0.00    +0.149 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.808   0.066  -1.565  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1        3.056  -0.011  -0.798  0.00  0.00    -0.263 N 
ATOM     26  C   LIG    1        3.147  -0.189   0.555  0.00  0.00    +0.404 C 
ATOM     27  O   LIG    1        2.234   0.074   1.327  0.00  0.00    -0.226 OA
ATOM     28  C   LIG    1        3.781  -0.713  -1.846  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1        2.676  -0.248  -2.801  0.00  0.00    +0.043 C 
BRANCH  26  30
ATOM     30  O   LIG    1        4.362  -0.680   0.903  0.00  0.00    -0.445 OA
BRANCH  30  31
ATOM     31  C   LIG    1        4.687  -0.948   2.291  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1        3.775  -2.031   2.877  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        4.664   0.337   3.127  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        6.127  -1.484   2.256  0.00  0.00    +0.055 C 
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7