REMARK  Name = BDB058188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.810  -0.302   0.367  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.814   1.053   0.579  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -1.936   1.981   0.840  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -1.220   3.351   0.858  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1        0.252   3.115   0.802  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        0.977   3.908  -0.199  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1        0.290   3.838  -1.581  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -1.151   3.872  -1.556  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -1.677   4.278  -0.290  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1        0.386   1.719   0.553  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        1.548   1.118   0.305  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        1.484  -0.213   0.119  0.00  0.00    +0.165 A 
ATOM     13  N   LIG    1        0.346  -0.945   0.138  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -1.557  -2.347   2.417  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -1.921  -2.386   0.930  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.038  -1.007   0.366  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1       -2.523  -1.058  -1.039  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -3.855  -1.817  -1.105  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -3.716  -3.151  -0.595  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -3.282  -3.111   0.774  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1        2.742  -0.926  -0.141  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        3.975  -0.276  -0.123  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1        5.179  -0.865  -0.359  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        5.176  -2.178  -0.629  0.00  0.00    +0.116 A 
ATOM     25  C   LIG    1        4.013  -2.930  -0.664  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1        2.792  -2.298  -0.422  0.00  0.00    +0.016 A 
BRANCH  24  27
ATOM     27  N   LIG    1        6.414  -2.772  -0.848  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        6.438  -3.267  -1.731  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        7.105  -2.026  -0.813  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  12  21
TORSDOF 3