REMARK  Name = BDB014451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.625  -2.395  -4.361  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.054  -2.192  -3.290  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.292  -2.443  -3.219  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -0.686  -2.799  -4.083  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.202  -2.123  -2.122  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.773  -0.702  -2.263  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -2.470  -0.601  -3.515  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.796  -0.721  -4.209  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.761  -0.365  -1.125  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.160  -0.337   0.222  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.200  -0.292   1.271  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -3.472   1.075   1.853  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -2.373   1.904   2.132  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -2.560   3.137   2.758  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -3.849   3.552   3.093  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.945   2.735   2.812  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -1.019   1.390   1.725  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.759   1.495   2.200  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -1.147   0.740   0.337  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        1.757  -1.694  -2.024  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.095  -1.310  -2.301  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.844  -0.783  -1.271  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        3.487  -0.690   0.092  0.00  0.00    +0.112 A 
ATOM     24  C   LIG    1        4.439  -0.113   0.968  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.132  -0.008   2.333  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        2.918  -0.471   2.813  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        2.042  -1.022   1.906  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        5.680   0.346   0.496  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        6.006   0.240  -0.849  0.00  0.00    +0.004 A 
ATOM     30  N   LIG    1        2.298  -1.127   0.584  0.00  0.00    -0.251 NA
ATOM     31  C   LIG    1        5.091  -0.325  -1.726  0.00  0.00    +0.048 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8