REMARK  Name = BDB039612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.873  -1.022   0.286  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.637  -0.992   1.748  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.318  -1.728   2.084  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.149  -1.177   1.356  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.434  -1.203  -0.102  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.734  -0.444  -0.460  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.681   0.396  -0.653  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        6.484  -0.940  -0.567  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        5.230  -1.371  -0.269  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        5.053  -2.862  -0.194  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        4.139  -0.507  -0.048  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        4.395   0.867  -0.141  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.674   1.330  -0.448  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.450   2.312  -2.382  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.162   1.899  -1.884  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.350   2.108  -2.449  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.072   0.844  -0.984  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        9.054   0.298  -0.495  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.058  -1.954   1.681  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.332  -1.307   1.178  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -2.667  -0.002   1.572  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -3.841   0.589   1.108  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -4.707  -0.113   0.247  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -5.911   0.573  -0.194  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1       -6.994   0.082  -1.083  0.00  0.00    +0.120 C 
ATOM     26  N   LIG    1       -7.806   1.288  -1.373  0.00  0.00    -0.297 NA
ATOM     27  C   LIG    1       -9.233   1.011  -1.409  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1       -7.449   2.312  -0.358  0.00  0.00    +0.125 C 
ATOM     29  C   LIG    1       -6.176   1.818   0.207  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1       -5.294   2.568   1.106  0.00  0.00    +0.254 A 
ATOM     31  O   LIG    1       -5.558   3.706   1.474  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1       -4.379  -1.413  -0.140  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1       -4.162   1.901   1.508  0.00  0.00    -0.322 N 
ATOM     34  H   LIG    1       -3.544   2.408   2.127  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -3.199  -2.005   0.323  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4