REMARK  Name = BDB011123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.145  -1.650  -0.660  0.00  0.00    +0.242 C 
ATOM      2  N   LIG    1        0.099  -1.736  -1.249  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1        1.405  -1.288  -0.695  0.00  0.00    +0.104 C 
ATOM      4  C   LIG    1        2.482  -1.875  -1.636  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        1.672  -2.180  -2.852  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        2.118  -2.557  -4.106  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        1.157  -2.866  -5.063  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -0.187  -2.797  -4.705  0.00  0.00    +0.113 A 
ATOM      9  N   LIG    1       -0.631  -2.441  -3.478  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1        0.309  -2.127  -2.583  0.00  0.00    +0.131 A 
ATOM     11  O   LIG    1       -2.222  -1.737  -1.261  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -1.188  -1.503   0.883  0.00  0.00    +0.162 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -2.059   0.737   1.481  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -2.295  -0.575   1.138  0.00  0.00    -0.302 N 
ATOM     15  H   LIG    1       -3.137  -0.784   0.610  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1       -0.945   1.124   1.839  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -3.304   1.665   1.490  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -4.059   1.628   0.165  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -3.776   3.787   2.584  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -2.851   3.054   1.734  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -1.935   3.006   2.194  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH  12  14
BRANCH  12  22
ATOM     22  C   LIG    1       -1.462  -2.870   1.555  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -1.629  -2.714   3.072  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -0.350  -3.887   1.282  0.00  0.00    +0.009 C 
ENDBRANCH  12  22
ENDBRANCH   1  12
BRANCH   3  25
ATOM     25  C   LIG    1        1.504   0.261  -0.663  0.00  0.00    +0.124 C 
BRANCH  25  26
ATOM     26  N   LIG    1        2.685   0.669   0.102  0.00  0.00    -0.342 N 
ATOM     27  H   LIG    1        2.654   0.330   1.065  0.00  0.00    +0.146 HD
BRANCH  26  28
ATOM     28  C   LIG    1        3.064   2.021   0.118  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        2.646   2.971  -0.820  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        3.123   4.287  -0.782  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        4.052   4.669   0.181  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.511   3.732   1.100  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        4.028   2.420   1.058  0.00  0.00    +0.023 A 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8