REMARK  Name = BDB013016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.012   0.314   0.019  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.894   1.166  -0.673  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.212   0.782  -0.704  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.848   1.712  -1.472  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.997   2.642  -1.842  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.690  -0.370  -0.074  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.857  -1.167   0.537  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.761   2.298  -1.336  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.523  -0.805   0.558  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.265   1.020   0.324  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -3.515   0.670   1.455  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.136   0.445   1.361  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.471   0.547   0.131  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -2.217   0.895  -1.001  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.594   1.120  -0.907  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.279   1.788   1.720  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -5.774   1.269   0.362  0.00  0.00    +0.084 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -6.499   0.114  -0.185  0.00  0.00    -0.296 NA
ATOM     19  C   LIG    1       -6.488  -1.104   0.618  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -7.510  -1.988  -0.086  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -8.399  -1.031  -0.873  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -7.900   0.359  -0.511  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        4.030  -0.688  -0.109  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        4.121  -1.659   0.194  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.966   0.107   0.682  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.327  -0.534   0.639  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1        7.135  -0.479  -0.493  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.875   0.115  -1.826  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        8.286   0.041  -2.411  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        9.032  -0.983  -1.716  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        8.370  -1.112  -0.522  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        8.858  -1.822   0.554  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1        8.070  -1.887   1.703  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        6.817  -1.251   1.746  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6