REMARK  Name = BDB014535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.433  -0.422   4.081  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.335  -0.705   3.297  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.133  -1.384   2.116  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.869  -1.311   1.418  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.207  -1.598   1.597  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.186  -2.588   0.428  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        0.606  -2.027  -0.635  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -0.014  -1.432  -1.109  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.588  -2.930  -0.118  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.178  -1.767  -0.817  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.274  -1.173  -0.019  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -3.984  -0.039  -0.726  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -3.956   0.064  -2.127  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -4.651   1.100  -2.764  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -5.391   2.015  -2.016  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.437   1.905  -0.628  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.125  -0.899  -2.936  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.740   0.882   0.015  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.712  -2.145  -2.139  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        2.801  -0.367   3.580  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.583  -0.102   2.421  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.442   1.119   1.809  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        4.278   1.342   0.702  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        4.229   2.544  -0.026  0.00  0.00    +0.091 A 
ATOM     25  N   LIG    1        5.057   2.791  -1.139  0.00  0.00    -0.248 NA
ATOM     26  C   LIG    1        5.888   1.855  -1.483  0.00  0.00    +0.181 A 
ATOM     27  C   LIG    1        6.022   0.530  -0.766  0.00  0.00    +0.267 A 
ATOM     28  O   LIG    1        6.840  -0.288  -1.158  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1        3.325   3.528   0.367  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        2.486   3.319   1.464  0.00  0.00    +0.006 A 
ATOM     31  N   LIG    1        5.189   0.352   0.304  0.00  0.00    -0.317 N 
ATOM     32  H   LIG    1        5.237  -0.516   0.822  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1        2.543   2.120   2.183  0.00  0.00    +0.048 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8