REMARK  Name = BDB014601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.347  -4.469  -1.147  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.246  -3.241  -1.121  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.172  -2.644  -1.722  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -0.358  -3.278  -2.314  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.018  -1.228  -2.023  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.423  -0.871  -2.413  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.850  -1.718  -3.491  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -2.829  -1.688  -3.451  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.407  -1.023  -1.231  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.809  -0.829  -1.674  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.152   0.594  -1.885  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.351   1.400  -0.619  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -4.691   0.770   0.592  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -4.908   1.542   1.741  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.810   2.931   1.685  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.491   3.559   0.483  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.757  -0.735   0.673  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.266   2.799  -0.664  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.769  -1.403  -0.710  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.242  -2.371  -0.356  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.861  -1.431  -1.224  0.00  0.00    -0.483 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.695  -0.510  -0.651  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        4.115  -0.499   0.682  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        4.973   0.508   1.155  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.398   1.505   0.264  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.989   1.493  -1.069  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.143   0.484  -1.523  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        5.432   0.549   2.536  0.00  0.00    +0.089 A 
ATOM     29  N   LIG    1        6.107   1.626   3.074  0.00  0.00    -0.236 NA
ATOM     30  C   LIG    1        6.367   1.299   4.318  0.00  0.00    +0.197 A 
ATOM     31  N   LIG    1        5.891   0.056   4.616  0.00  0.00    -0.350 N 
ATOM     32  H   LIG    1        5.978  -0.414   5.507  0.00  0.00    +0.166 HD
ATOM     33  C   LIG    1        5.290  -0.439   3.489  0.00  0.00    +0.112 A 
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9