REMARK  Name = BDB029700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.014  -0.046   1.656  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1        0.908  -0.952   1.216  0.00  0.00    +0.084 C 
ATOM      3  C   LIG    1        1.337  -2.097   0.297  0.00  0.00    +0.029 C 
ATOM      4  C   LIG    1       -0.257  -0.139   0.583  0.00  0.00    +0.107 C 
ATOM      5  N   LIG    1       -0.867   0.825   1.525  0.00  0.00    -0.292 NA
ATOM      6  C   LIG    1        0.104   1.338   2.511  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1        1.577   1.317   2.046  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.640  -0.116  -0.367  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        5.562  -0.707   0.857  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        4.351  -0.650   1.464  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        3.209  -0.042   0.932  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        3.345   0.548  -0.328  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.571   0.514  -0.991  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        9.264  -1.073  -0.846  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.958  -0.799  -0.314  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.653  -1.228   0.557  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        6.973  -0.176  -1.050  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.141   0.289  -2.172  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1       -1.721   1.856   0.906  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -0.958   2.889   0.059  0.00  0.00    +0.029 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.921   1.226   0.210  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1       -3.902   0.577   0.978  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -4.990  -0.011   0.346  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -5.076   0.061  -1.041  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -6.218  -0.554  -1.710  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -7.173  -1.184  -1.004  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -7.076  -1.262   0.490  0.00  0.00    +0.252 A 
ATOM     28  O   LIG    1       -7.930  -1.831   1.163  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1       -8.366  -1.834  -1.629  0.00  0.00    +0.049 C 
ATOM     30  N   LIG    1       -4.156   0.669  -1.817  0.00  0.00    -0.253 NA
ATOM     31  N   LIG    1       -5.987  -0.668   1.076  0.00  0.00    -0.321 N 
ATOM     32  H   LIG    1       -5.934  -0.731   2.083  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1       -3.104   1.232  -1.174  0.00  0.00    +0.116 A 
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 4