REMARK  Name = BDB016137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.950  -2.083   2.269  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.812  -1.458   1.169  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.953  -0.644   0.331  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.018  -1.014   0.169  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.422   0.093  -0.764  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -3.746   0.078  -1.260  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.124   0.994  -2.263  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.216   1.893  -2.815  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.906   1.899  -2.366  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.778  -0.811  -0.891  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.699  -0.627  -1.269  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.762  -1.983  -0.204  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.819  -2.609  -0.079  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.504   1.019  -1.350  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1       -3.481  -2.530   0.339  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.118   1.130  -0.853  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        0.949   0.896  -1.633  0.00  0.00    +0.008 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.344   0.984  -1.175  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1        2.732   0.641   0.131  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1        4.076   0.704   0.537  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        5.036   1.109  -0.400  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.667   1.438  -1.705  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.329   1.370  -2.091  0.00  0.00    +0.008 A 
BRANCH  20  24
ATOM     24  C   LIG    1        4.452   0.349   1.900  0.00  0.00    +0.155 A 
ATOM     25  O   LIG    1        5.788   0.384   2.215  0.00  0.00    -0.442 OA
ATOM     26  C   LIG    1        5.832   0.012   3.523  0.00  0.00    +0.308 A 
ATOM     27  N   LIG    1        4.669  -0.255   4.069  0.00  0.00    -0.224 NA
ATOM     28  C   LIG    1        3.783  -0.041   3.042  0.00  0.00    +0.160 A 
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH  14  16
TORSDOF 3