REMARK  Name = BDB028394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.429   0.331   0.296  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        2.233  -0.509   0.013  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        2.271  -1.313  -1.124  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.174  -2.111  -1.476  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.018  -2.084  -0.697  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.038  -1.267   0.435  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        3.469  -1.298  -1.978  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1        3.549  -2.004  -2.976  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        4.470  -0.442  -1.594  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1        5.302  -0.406  -2.176  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        1.076  -0.496   0.800  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1        4.464   0.357  -0.495  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.255  -1.161   1.211  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -2.449  -0.619   0.753  0.00  0.00    +0.078 A 
ATOM     15  N   LIG    1       -3.294  -0.664   1.845  0.00  0.00    -0.266 N 
ATOM     16  C   LIG    1       -4.652  -0.173   1.932  0.00  0.00    +0.173 C 
ATOM     17  N   LIG    1       -2.740  -1.223   2.937  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1       -1.494  -1.501   2.558  0.00  0.00    +0.143 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -2.826  -0.079  -0.560  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -2.255   1.094  -1.100  0.00  0.00    +0.079 A 
ATOM     21  C   LIG    1       -2.663   1.534  -2.369  0.00  0.00    +0.059 A 
ATOM     22 CL   LIG    1       -2.014   2.962  -3.101  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -3.620   0.821  -3.097  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -4.178  -0.339  -2.569  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.782  -0.787  -1.311  0.00  0.00    +0.011 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -1.262   1.834  -0.370  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -0.440   2.412   0.211  0.00  0.00    -0.191 NA
ENDBRANCH  20  26
ENDBRANCH  14  19
ENDBRANCH   6  13
BRANCH   1  29
ATOM     28  C   LIG    1        4.862   1.467   2.072  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1        3.446   1.240   1.544  0.00  0.00    +0.099 C 
BRANCH  29  30
ATOM     30  N   LIG    1        2.849   2.536   1.202  0.00  0.00    -0.323 NA
ATOM     31  H   LIG    1        1.884   2.428   0.877  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1        3.363   2.943   0.418  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 5