REMARK  Name = BDB044370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.557   0.391  -0.643  0.00  0.00    +0.269 C 
ATOM      2  N   LIG    1        0.667  -0.236  -0.767  0.00  0.00    -0.278 N 
ATOM      3  H   LIG    1        0.641  -1.251  -0.733  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.746   1.604  -0.659  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -6.118   1.958  -0.153  0.00  0.00    +0.011 C 
ATOM      6  C   LIG    1       -5.256   0.752   0.264  0.00  0.00    -0.030 C 
ATOM      7  C   LIG    1       -3.801   0.965  -0.269  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1       -3.040  -0.315  -0.324  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -3.636  -1.552  -0.243  0.00  0.00    +0.040 A 
ATOM     10  N   LIG    1       -2.641  -2.471  -0.340  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -2.713  -3.483  -0.311  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1       -1.422  -1.917  -0.491  0.00  0.00    -0.169 NA
ATOM     13  C   LIG    1       -5.078  -1.831  -0.054  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -1.656  -0.582  -0.487  0.00  0.00    +0.151 A 
ATOM     15  C   LIG    1       -5.886  -0.547  -0.337  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -5.250   0.679   1.804  0.00  0.00    +0.011 C 
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1        1.875   0.404  -0.922  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        3.078  -0.248  -1.045  0.00  0.00    +0.132 A 
ATOM     19  N   LIG    1        4.030   0.728  -1.163  0.00  0.00    -0.265 N 
ATOM     20  N   LIG    1        3.518   1.976  -1.152  0.00  0.00    -0.177 NA
ATOM     21  C   LIG    1        2.205   1.774  -0.995  0.00  0.00    +0.157 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.463   0.530  -1.346  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.126   0.013  -0.093  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        6.177   0.806   1.063  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.794   0.332   2.222  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.368  -0.937   2.236  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.327  -1.733   1.093  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.710  -1.262  -0.067  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4