REMARK  Name = BDB016023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.446   1.878  -0.290  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.430   0.853  -0.250  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.746   1.134  -0.199  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.205   2.455  -0.203  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.224   3.429  -0.260  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.097   3.175  -0.302  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.724  -0.016   0.154  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.359   0.311   0.159  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.885   1.557  -0.299  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.840   2.482  -0.756  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.203   2.174  -0.767  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.641   0.930  -0.316  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.256  -4.245   0.759  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.294  -3.179   0.891  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.297  -3.295   1.786  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.605  -2.163   1.628  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.160  -1.312   0.643  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.260  -2.010   0.186  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.609   2.825  -0.183  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.145   3.864   0.551  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.486   3.862   0.291  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.478   4.762   0.828  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.864   2.891  -0.558  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.721   2.267  -0.853  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.668   0.080  -0.164  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.324   0.230   0.600  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.275  -1.321  -0.282  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1       -1.419  -1.857   0.867  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1       -0.609  -2.991   0.234  0.00  0.00    +0.052 C 
ATOM     30  C   LIG    1       -0.310  -2.458  -1.168  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -1.555  -1.678  -1.588  0.00  0.00    +0.024 C 
BRANCH  29  32
ATOM     32  N   LIG    1       -1.366  -4.241   0.170  0.00  0.00    -0.327 NA
ATOM     33  H   LIG    1       -2.236  -4.126  -0.344  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1       -1.617  -4.542   1.111  0.00  0.00    +0.118 HD
ENDBRANCH  29  32
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6