REMARK  Name = BDB016054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.511  -0.277   0.242  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.667  -0.896   0.458  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.813  -0.215   0.241  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -1.783   1.125  -0.159  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.524   1.665  -0.352  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.630   0.994  -0.174  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.209  -1.213   0.444  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.022  -0.491   0.233  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.749  -1.051   0.470  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.709  -2.380   0.932  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.878  -3.113   1.145  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.122  -2.532   0.901  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.899   2.078  -0.035  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.128   0.859  -0.011  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.727  -0.308  -0.306  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.742  -1.202  -0.182  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.509  -0.615   0.190  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.804   0.730   0.295  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.957   1.963  -0.300  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.193   2.834  -1.344  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.399   3.421  -1.083  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.081   4.405  -1.888  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -4.963   2.998   0.062  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.081   2.117   0.541  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.022  -0.904   0.428  0.00  0.00    -0.312 N 
ATOM     26  C   LIG    1       -2.933  -2.201   1.125  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -4.252  -2.878   0.737  0.00  0.00    +0.133 C 
ATOM     28  C   LIG    1       -4.372  -2.509  -0.732  0.00  0.00    +0.052 C 
ATOM     29  C   LIG    1       -3.838  -1.073  -0.793  0.00  0.00    +0.109 C 
BRANCH  27  30
ATOM     30  O   LIG    1       -5.349  -2.325   1.466  0.00  0.00    -0.390 OA
ATOM     31  H   LIG    1       -5.179  -1.365   1.533  0.00  0.00    +0.210 HD
ENDBRANCH  27  30
ENDBRANCH   3  25
TORSDOF 5