REMARK  Name = BDB031332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.727  -0.230   0.037  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.737  -1.274   0.331  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.339  -0.659   0.530  0.00  0.00    +0.128 C 
ATOM      4  N   LIG    1        0.104   0.150  -0.613  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        1.429   0.386  -0.959  0.00  0.00    +0.307 C 
ATOM      6  N   LIG    1        2.328   0.107   0.048  0.00  0.00    -0.269 N 
ATOM      7  H   LIG    1        1.938   0.099   0.977  0.00  0.00    +0.156 HD
ATOM      8  O   LIG    1        1.731   0.819  -2.067  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1       -0.944   0.537  -1.563  0.00  0.00    +0.128 C 
ATOM     10  C   LIG    1       -2.288   0.852  -0.879  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        3.737   0.106  -0.032  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        4.442   0.027   1.181  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1        5.816   0.012   1.113  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1        6.501   0.065  -0.097  0.00  0.00    +0.067 A 
ATOM     15  N   LIG    1        7.863   0.031   0.178  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        8.620   0.056  -0.485  0.00  0.00    +0.170 HD
ATOM     17  C   LIG    1        8.040  -0.043   1.567  0.00  0.00    +0.325 A 
ATOM     18  O   LIG    1        9.099  -0.089   2.165  0.00  0.00    -0.247 OA
ATOM     19  C   LIG    1        5.847   0.134  -1.301  0.00  0.00    +0.029 A 
ATOM     20  N   LIG    1        6.757  -0.055   2.135  0.00  0.00    -0.306 N 
ATOM     21  H   LIG    1        6.588  -0.102   3.126  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1        4.445   0.150  -1.258  0.00  0.00    +0.025 A 
ENDBRANCH   6  11
BRANCH   1  24
ATOM     23  C   LIG    1       -5.085   0.497   0.112  0.00  0.00    +0.141 A 
ATOM     24  C   LIG    1       -4.097  -0.515   0.065  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1       -4.575  -1.838   0.065  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -5.945  -2.136   0.059  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.886  -1.113   0.057  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.455   0.208   0.080  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -4.512   2.198   1.537  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -4.753   1.833   0.176  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
ENDBRANCH   1  24
TORSDOF 3