REMARK  Name = BDB028455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.798  -2.860  -2.504  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.739  -2.995  -1.530  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -1.097  -1.984  -0.847  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -0.192  -2.631  -0.017  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.374  -4.004  -0.275  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -1.306  -4.228  -1.203  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.680  -1.970   0.929  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.716  -1.146   0.471  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.526  -0.460   1.382  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.308  -0.617   2.747  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.154   0.123   3.697  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.109   0.943   3.145  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        4.699   1.465   3.785  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.343   1.124   1.816  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.006   0.009   4.908  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.290  -1.459   3.214  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.611   0.462   0.966  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        0.476  -2.135   2.303  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        3.892   0.682  -0.519  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.868   1.573  -1.076  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        2.947   2.475  -0.600  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        3.107   1.760  -2.051  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -1.424  -0.554  -0.978  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -2.364   0.060  -0.116  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1       -3.179  -0.915   1.084  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -2.668   1.449  -0.209  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -2.001   2.215  -1.194  0.00  0.00    -0.015 A 
ATOM     28  C   LIG    1       -2.267   3.589  -1.323  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -3.185   4.224  -0.490  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.851   3.493   0.483  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -1.073   1.603  -2.045  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -3.596   2.126   0.622  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -0.782   0.236  -1.946  0.00  0.00    +0.063 A 
BRANCH  33  34
ATOM     34  C   LIG    1        0.184  -0.312  -2.857  0.00  0.00    +0.100 C 
ATOM     35  N   LIG    1        0.959  -0.736  -3.609  0.00  0.00    -0.191 NA
ENDBRANCH  33  34
ENDBRANCH   3  23
TORSDOF 5