REMARK  Name = BDB022386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.569   2.506  -1.207  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.423   1.758  -0.749  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.872   2.208  -0.038  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.510   0.390  -0.644  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.366  -0.238  -0.183  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.120   0.466   0.133  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -0.947  -0.414   0.482  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.038  -1.335   1.531  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        0.054  -2.111   1.904  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.252  -2.001   1.197  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.377  -1.101   0.127  0.00  0.00    -0.017 A 
ATOM     12  O   LIG    1       -2.187  -1.450   2.259  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1       -3.273  -2.051   1.531  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1        0.266  -0.311  -0.218  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.412  -1.685   0.045  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1       -5.530  -0.219  -0.957  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.628  -0.997  -0.612  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1        3.454   0.135  -0.637  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        4.699   0.274  -1.361  0.00  0.00    +0.093 A 
ATOM     20  N   LIG    1        5.211   1.496  -1.141  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1        4.339   2.087  -0.300  0.00  0.00    -0.273 N 
ATOM     22  C   LIG    1        4.609   3.429   0.157  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1        5.202  -0.778  -2.145  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        4.396  -1.936  -2.138  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        3.267   1.314   0.035  0.00  0.00    +0.117 A 
ATOM     26  C   LIG    1        3.172  -2.039  -1.405  0.00  0.00    +0.009 A 
ENDBRANCH  11  17
TORSDOF 1