REMARK  Name = BDB002505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.371  -1.821  -1.129  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.574  -0.838  -0.428  0.00  0.00    +0.218 C 
ATOM      3  N   LIG    1       -0.212  -0.510   0.658  0.00  0.00    -0.314 N 
ATOM      4  H   LIG    1       -0.132   0.414   1.063  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.707   0.136  -0.668  0.00  0.00    +0.101 C 
ATOM      6  C   LIG    1        2.737   0.036   0.443  0.00  0.00    +0.121 C 
ATOM      7  N   LIG    1        3.957   0.485  -0.177  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1        3.921   0.263  -1.551  0.00  0.00    +0.217 C 
ATOM      9  O   LIG    1        4.853   0.349  -2.333  0.00  0.00    -0.276 OA
ATOM     10  C   LIG    1        2.521  -0.154  -1.927  0.00  0.00    +0.110 C 
BRANCH   7  11
ATOM     11  C   LIG    1        5.184   0.625   0.597  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        6.031  -0.654   0.622  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        7.468  -0.158   0.661  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1        7.435   1.059  -0.248  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1        6.119   1.744   0.103  0.00  0.00    +0.022 C 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1       -1.386  -1.296   1.010  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.598  -0.974   0.114  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.813  -1.737   0.454  0.00  0.00    -0.296 NA
ATOM     19  C   LIG    1       -4.862  -1.544  -0.569  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -5.601  -0.224  -0.479  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -5.654   0.495   0.730  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.375   1.694   0.795  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.059   2.167  -0.325  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.023   1.449  -1.518  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.885   0.011   1.934  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -6.302   0.257  -1.595  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.380  -1.431   1.777  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 5