REMARK  Name = BDB039588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.281   0.436   1.330  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.863   1.748   1.861  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.813   2.467   0.979  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.332   1.639   0.537  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.204   0.401  -0.077  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.184  -0.406   0.805  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.863   0.023  -0.753  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.510  -0.952   0.126  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1        4.343  -0.778   0.805  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.023  -1.851   1.810  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        3.485   0.332   0.628  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        3.909   1.304  -0.287  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.104   1.155  -0.988  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.015  -1.770  -1.817  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.830  -1.329  -1.135  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.344  -1.947  -0.488  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.152  -0.183  -1.492  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.538   0.611  -2.342  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.250   1.371   1.656  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.548   0.720   1.218  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.344   1.323   0.228  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.538   0.724  -0.164  0.00  0.00    +0.053 A 
ATOM     23  N   LIG    1       -5.338   1.329  -1.171  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -5.032   2.193  -1.600  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.546   0.820  -1.640  0.00  0.00    +0.262 A 
ATOM     26  C   LIG    1       -6.967  -0.412  -1.024  0.00  0.00    +0.109 A 
ATOM     27  C   LIG    1       -6.199  -0.995  -0.057  0.00  0.00    +0.182 A 
ATOM     28  O   LIG    1       -6.766  -2.134   0.388  0.00  0.00    -0.354 OA
ATOM     29  N   LIG    1       -7.962  -2.324  -0.308  0.00  0.00    -0.082 NA
ATOM     30  C   LIG    1       -8.067  -1.280  -1.153  0.00  0.00    +0.094 A 
ATOM     31  C   LIG    1       -9.230  -1.155  -2.059  0.00  0.00    +0.070 C 
ATOM     32  O   LIG    1       -7.191   1.390  -2.513  0.00  0.00    -0.267 OA
ATOM     33  C   LIG    1       -4.951  -0.485   0.439  0.00  0.00    +0.044 A 
ATOM     34  C   LIG    1       -4.175  -1.086   1.424  0.00  0.00    +0.014 A 
ATOM     35  C   LIG    1       -2.976  -0.482   1.813  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4