REMARK  Name = BDB048489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.264  -0.527   0.290  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.915  -0.540   0.190  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1       -0.225  -1.669   0.469  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1       -0.878  -2.838   0.885  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -2.278  -2.836   0.989  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -3.048  -4.053   1.424  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -2.966  -1.657   0.683  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -2.858   0.693  -0.029  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -2.115   1.338  -0.269  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1       -6.787   3.629  -0.607  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -5.840   2.522  -0.354  0.00  0.00    +0.035 A 
ATOM     12  N   LIG    1       -6.250   1.278   0.030  0.00  0.00    -0.280 N 
ATOM     13  H   LIG    1       -7.197   0.951   0.188  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -5.244   0.410   0.210  0.00  0.00    -0.158 NA
ATOM     15  C   LIG    1       -4.139   1.110  -0.063  0.00  0.00    +0.146 A 
ATOM     16  C   LIG    1       -4.468   2.442  -0.423  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1        1.183  -1.635   0.387  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.513  -2.423  -0.168  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.748  -0.367  -0.086  0.00  0.00    +0.144 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.279  -0.409  -0.023  0.00  0.00    +0.247 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.790   0.810  -0.564  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.150   0.953  -0.599  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        6.086   0.030  -0.128  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1        7.453   0.306  -0.227  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.891   1.501  -0.794  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.961   2.426  -1.264  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.596   2.150  -1.165  0.00  0.00    +0.045 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
BRANCH   4  28
ATOM     28  C   LIG    1       -0.124  -4.018   1.193  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1        0.474  -4.988   1.417  0.00  0.00    -0.191 NA
ENDBRANCH   4  28
TORSDOF 8