REMARK  Name = BDB062825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.781  -0.033   0.783  0.00  0.00    -0.245 N 
ATOM      2  C   LIG    1       -1.823  -1.362   0.461  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1       -0.591  -1.663  -0.090  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1       -0.400  -2.989  -0.487  0.00  0.00    +0.133 A 
ATOM      5  N   LIG    1       -1.421  -3.860  -0.337  0.00  0.00    -0.199 NA
ATOM      6  C   LIG    1       -2.578  -3.439   0.196  0.00  0.00    +0.216 A 
ATOM      7  C   LIG    1        0.132  -0.439  -0.049  0.00  0.00    +0.105 A 
ATOM      8  N   LIG    1       -2.848  -2.209   0.639  0.00  0.00    -0.195 NA
ATOM      9  N   LIG    1       -0.587   0.543   0.520  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.480  -0.170  -0.528  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        2.488   0.160   0.398  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        3.773   0.416  -0.091  0.00  0.00    +0.112 A 
ATOM     13  C   LIG    1        4.002   0.345  -1.455  0.00  0.00    +0.157 A 
ATOM     14  O   LIG    1        5.317   0.635  -1.670  0.00  0.00    -0.424 OA
ATOM     15  C   LIG    1        5.814   0.868  -0.417  0.00  0.00    +0.295 A 
ATOM     16  C   LIG    1        3.040   0.035  -2.407  0.00  0.00    +0.049 A 
ATOM     17  N   LIG    1        4.938   0.748   0.555  0.00  0.00    -0.195 NA
ATOM     18  C   LIG    1        1.756  -0.221  -1.907  0.00  0.00    +0.014 A 
BRANCH  15  19
ATOM     19  N   LIG    1        7.135   1.184  -0.378  0.00  0.00    -0.240 N 
ATOM     20  H   LIG    1        7.625   1.220  -1.259  0.00  0.00    +0.159 HD
ATOM     21  C   LIG    1        7.864   1.459   0.735  0.00  0.00    +0.217 C 
ATOM     22  O   LIG    1        9.061   1.729   0.608  0.00  0.00    -0.276 OA
ATOM     23  C   LIG    1        7.222   1.434   2.097  0.00  0.00    +0.109 C 
ENDBRANCH  15  19
ENDBRANCH   7  10
BRANCH   6  24
ATOM     24  N   LIG    1       -3.573  -4.386   0.338  0.00  0.00    -0.327 N 
ATOM     25  H   LIG    1       -4.188  -4.127   1.096  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -3.157  -5.307   0.375  0.00  0.00    +0.145 HD
ENDBRANCH   6  24
BRANCH   4  27
ATOM     27  N   LIG    1        0.773  -3.497  -1.018  0.00  0.00    -0.342 N 
ATOM     28  H   LIG    1        0.630  -4.395  -1.465  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        1.411  -2.854  -1.461  0.00  0.00    +0.144 HD
ENDBRANCH   4  27
BRANCH   1  30
ATOM     30  C   LIG    1       -2.825   0.742   1.428  0.00  0.00    +0.152 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.726   1.596   0.491  0.00  0.00    -0.016 C 
ATOM     32  C   LIG    1       -2.872   2.591  -0.325  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -4.676   2.425   1.382  0.00  0.00    +0.013 C 
BRANCH  31  35
ATOM     34  C   LIG    1       -5.599  -0.178   0.104  0.00  0.00    +0.004 C 
ATOM     35  C   LIG    1       -4.544   0.734  -0.510  0.00  0.00    +0.005 C 
ENDBRANCH  31  35
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 7