REMARK  Name = BDB020959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.688  -0.107   0.350  0.00  0.00    -0.297 N 
ATOM      2  C   LIG    1        2.747  -1.103  -0.151  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1        1.429  -1.048   0.644  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.837   0.295   0.712  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.463   0.558   1.106  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.933   1.697   1.103  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.712   1.410   0.332  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.176   1.204   0.762  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.664  -0.442  -0.665  0.00  0.00    +0.088 A 
ATOM     10  C   LIG    1        6.733  -1.390  -1.004  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1        5.423  -1.296  -0.686  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        5.014  -0.212  -0.002  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1        5.865   0.761   0.368  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1        7.168   0.629   0.031  0.00  0.00    +0.134 A 
BRANCH   9  16
ATOM     15  N   LIG    1       10.158  -0.660  -1.291  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        9.037  -0.562  -1.009  0.00  0.00    +0.102 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.309  -0.635   1.526  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.659  -0.214   2.103  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.656   0.072   1.004  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -3.510   1.264   0.348  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.727   1.875   0.574  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -4.308   1.654  -0.697  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -4.133   2.699  -1.311  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.391   0.718  -1.045  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1       -5.473  -0.472  -0.317  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1       -6.489  -1.377  -0.632  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -7.402  -1.096  -1.653  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -7.306   0.097  -2.372  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.297   1.010  -2.070  0.00  0.00    +0.015 A 
ATOM     30  N   LIG    1       -4.574  -0.793   0.715  0.00  0.00    -0.234 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5