REMARK  Name = BDB028448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.557  -3.210  -0.570  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1        1.565  -2.621   0.298  0.00  0.00    -0.236 N 
ATOM      3  C   LIG    1        0.806  -1.503   0.052  0.00  0.00    +0.221 A 
ATOM      4  C   LIG    1       -0.046  -1.387   1.138  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.372  -2.410   2.020  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1        1.364  -3.151   1.520  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.105  -0.407   1.284  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1       -1.978  -0.137   0.217  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.005   0.806   0.360  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.168   1.458   1.580  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.271   2.420   1.740  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -5.087   2.590   0.649  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -5.856   3.247   0.741  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.946   1.983  -0.559  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -4.447   3.022   2.793  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.307   1.195   2.650  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.961   1.149  -0.724  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.278   0.263   2.501  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.826   0.499  -2.100  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.655  -0.707  -2.152  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -5.626  -0.430  -1.987  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -4.415  -1.337  -1.390  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  O   LIG    1        0.961  -0.800  -1.074  0.00  0.00    -0.471 OA
BRANCH  23  24
ATOM     24  C   LIG    1        1.448   0.538  -0.891  0.00  0.00    +0.269 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.951   0.548  -0.697  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        3.525   0.786   0.572  0.00  0.00    +0.060 A 
ATOM     27  C   LIG    1        4.919   0.757   0.739  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        5.756   0.492  -0.341  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        5.205   0.253  -1.596  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.818   0.278  -1.774  0.00  0.00    +0.049 A 
ATOM     31 CL   LIG    1        3.227  -0.048  -3.366  0.00  0.00    -0.083 Cl
BRANCH  26  32
ATOM     32  C   LIG    1        2.724   1.069   1.732  0.00  0.00    +0.100 C 
ATOM     33  N   LIG    1        2.080   1.317   2.665  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7