REMARK  Name = BDB029679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.210  -1.762  -0.879  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        0.167  -0.403  -1.365  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        1.550   0.139  -1.073  0.00  0.00    +0.092 C 
ATOM      4  N   LIG    1        2.569  -0.686  -0.384  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1        2.079  -1.916   0.254  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1        1.147  -0.193  -2.484  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        0.985  -2.594  -0.604  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.823  -0.150  -0.063  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        4.382   0.908  -0.792  0.00  0.00    +0.134 A 
ATOM     10  N   LIG    1        5.583   1.493  -0.555  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        6.300   1.000   0.478  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        5.858  -0.050   1.272  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.613  -0.622   0.992  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.626   1.646   0.744  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.664   0.777   1.054  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.548  -0.200   0.818  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       10.008   1.280   1.183  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        7.769   2.862   0.675  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.078  -1.696   0.311  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.976   1.016  -0.263  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.224   1.748   0.809  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -6.718   2.689   1.422  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -4.949   1.321   1.081  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -4.460   1.826   1.807  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.336   0.261   0.404  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -5.026  -0.414  -0.600  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -4.512  -1.445  -1.301  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -3.247  -1.811  -0.985  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.470  -1.200   0.002  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.041  -0.138   0.714  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -6.386   0.004  -0.924  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -9.386   1.005   0.451  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.369   1.490  -0.573  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5