REMARK  Name = BDB051720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.240   0.936   0.924  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -3.141   1.582   0.309  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -3.002   2.923  -0.328  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -1.570   3.481  -0.189  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -0.483   2.440  -0.250  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.701   1.117   0.112  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.282   0.227   0.236  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1        1.518   0.624  -0.074  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1        1.829   1.863  -0.477  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        0.825   2.755  -0.532  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -2.064   0.715   0.437  0.00  0.00    +0.099 A 
ATOM     12  N   LIG    1       -2.584  -0.465   0.948  0.00  0.00    -0.212 N 
ATOM     13  N   LIG    1       -3.860  -0.257   1.407  0.00  0.00    -0.159 NA
ENDROOT
BRANCH  12  14
ATOM     14  C   LIG    1       -2.048  -1.799   0.981  0.00  0.00    +0.155 A 
ATOM     15  N   LIG    1       -1.011  -2.138   0.173  0.00  0.00    -0.236 NA
ATOM     16  C   LIG    1       -0.579  -3.417   0.204  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -1.140  -4.403   0.996  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.214  -4.058   1.804  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.682  -2.744   1.794  0.00  0.00    +0.048 A 
ENDBRANCH  12  14
BRANCH   1  23
ATOM     20  N   LIG    1       -6.097   2.223   0.089  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -5.671   2.182  -0.825  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -7.096   2.379   0.125  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -5.623   1.410   1.089  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1       -6.364   1.098   2.017  0.00  0.00    -0.269 OA
ENDBRANCH   1  23
BRANCH   8  25
ATOM     25  N   LIG    1        2.491  -0.362   0.041  0.00  0.00    -0.311 N 
ATOM     26  H   LIG    1        1.939  -1.216   0.098  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.499  -0.344  -1.005  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1        4.139  -1.734  -1.132  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        5.594  -1.455  -1.467  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        5.914  -0.263  -0.585  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        4.663   0.605  -0.664  0.00  0.00    +0.022 C 
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 4