REMARK  Name = BDB004576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.945  -3.020   0.940  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        0.343  -2.508   1.182  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        0.537  -1.132   0.978  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.845  -0.639   1.187  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        2.839  -1.427   1.622  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.551  -2.713   1.803  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -0.555  -0.307   0.588  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.840  -0.806   0.397  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1        1.365  -3.292   1.593  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -2.005  -2.180   0.540  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -0.294  -5.353   1.364  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -0.534  -6.320   1.532  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        0.647  -5.026   1.562  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -1.293  -4.468   1.087  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -2.446  -4.868   0.963  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        2.106   0.731   0.977  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        1.784   0.980   0.045  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.480   1.190   1.171  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.217   1.234  -0.149  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        4.957   0.128  -0.590  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.614   0.160  -1.820  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.535   1.295  -2.625  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.797   2.398  -2.201  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.138   2.368  -0.971  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
BRANCH   8  25
ATOM     25  N   LIG    1       -2.915  -0.043  -0.055  0.00  0.00    -0.340 N 
ATOM     26  H   LIG    1       -3.812  -0.467   0.178  0.00  0.00    +0.146 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.923   1.403   0.143  0.00  0.00    +0.138 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.232   1.978  -0.326  0.00  0.00    -0.012 A 
ATOM     29  C   LIG    1       -5.017   2.756   0.518  0.00  0.00    +0.115 A 
ATOM     30  N   LIG    1       -6.193   3.320   0.157  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1       -6.609   3.100  -1.108  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1       -5.903   2.346  -2.030  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -4.696   1.781  -1.631  0.00  0.00    +0.008 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 7