REMARK  Name = BDB013128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.216  -0.112  -0.460  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.517  -1.273  -0.891  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.855  -1.212  -0.913  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.269  -2.444  -1.329  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.227  -3.207  -1.570  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.584  -0.073  -0.545  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.937   0.984  -0.134  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.902  -2.467  -1.295  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.442   0.935  -0.092  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.461   0.235  -0.201  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        4.740   1.257  -0.710  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        3.394   1.112  -0.784  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.688  -0.008  -0.354  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.454  -1.057   0.155  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        4.844  -0.936   0.231  0.00  0.00    +0.044 A 
BRANCH  10  18
ATOM     16  C   LIG    1        8.760   0.895   0.446  0.00  0.00    +0.149 C 
ATOM     17  C   LIG    1        7.569   1.606  -0.223  0.00  0.00    +0.139 C 
ATOM     18  N   LIG    1        6.859   0.364  -0.136  0.00  0.00    -0.310 N 
ATOM     19  C   LIG    1        7.725  -0.163   0.875  0.00  0.00    +0.139 C 
BRANCH  16  20
ATOM     20  O   LIG    1        9.452   1.604   1.500  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        8.750   1.972   2.064  0.00  0.00    +0.210 HD
ENDBRANCH  16  20
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -2.959  -0.104  -0.622  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.396  -0.775  -1.243  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.750   1.098  -0.429  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.210   0.736  -0.490  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1       -5.869   0.156   0.590  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.382  -0.138   1.959  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.536  -1.012   2.450  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.716  -0.723   1.666  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.213  -0.181   0.512  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.959   0.034  -0.627  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -7.317   0.596  -1.730  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -5.955   0.939  -1.666  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6