REMARK  Name = BDB013105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.569   0.486   0.513  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.300   1.592   0.301  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.650   1.335   0.265  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.247   2.548   0.078  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.332   3.485  -0.025  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.196   0.052   0.405  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.392  -0.960   0.591  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.102   2.882   0.118  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.034  -0.719   0.632  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -4.873   2.379  -1.196  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -4.164   1.460  -0.243  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1       -4.841   0.695   0.722  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1       -4.148  -0.053   1.612  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1       -2.797  -0.092   1.527  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -2.044   0.574   0.570  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -2.761   1.372  -0.319  0.00  0.00    +0.017 A 
BRANCH  12  17
ATOM     17  N   LIG    1       -6.232   0.703   0.811  0.00  0.00    -0.315 N 
ATOM     18  C   LIG    1       -6.966   0.207  -0.361  0.00  0.00    +0.106 C 
ATOM     19  C   LIG    1       -8.087  -0.664   0.209  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -8.258  -0.141   1.624  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -6.815   0.132   2.030  0.00  0.00    +0.106 C 
ENDBRANCH  12  17
ENDBRANCH   1  15
BRANCH   6  22
ATOM     22  N   LIG    1        3.562  -0.107   0.342  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        4.135   0.624  -0.063  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.175  -1.421   0.331  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.667  -1.265   0.199  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1        6.303  -1.233  -1.039  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.742  -1.319  -2.409  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        7.037  -1.513  -3.197  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        8.141  -0.994  -2.421  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        7.672  -1.022  -1.133  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        8.465  -0.830  -0.022  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1        7.852  -0.862   1.230  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        6.467  -1.073   1.340  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5