REMARK  Name = BDB045670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.183  -2.735   0.761  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -0.261  -1.559   1.233  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.490  -1.479   1.764  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1       -2.299  -2.545   1.859  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -1.840  -3.715   1.390  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.599  -3.868   0.829  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.464  -2.850   0.173  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1        1.951  -3.646   0.562  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1        4.069  -0.781  -0.998  0.00  0.00    +0.043 A 
ATOM     10  N   LIG    1        2.922  -0.078  -1.257  0.00  0.00    -0.279 N 
ATOM     11  H   LIG    1        2.853   0.848  -1.672  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1        1.801  -0.710  -0.889  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1        2.221  -1.852  -0.341  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1        3.635  -1.952  -0.412  0.00  0.00    +0.068 A 
BRANCH   9  15
ATOM     15  C   LIG    1        5.420  -0.229  -1.366  0.00  0.00    +0.060 C 
ATOM     16  C   LIG    1        6.557  -1.118  -0.860  0.00  0.00    +0.016 C 
BRANCH  15  17
ATOM     17  C   LIG    1        5.604   1.208  -0.835  0.00  0.00    +0.168 C 
BRANCH  17  19
ATOM     18  C   LIG    1        4.820   3.425  -1.045  0.00  0.00    +0.194 C 
ATOM     19  O   LIG    1        4.698   2.088  -1.517  0.00  0.00    -0.382 OA
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  N   LIG    1       -1.935  -0.254   2.222  0.00  0.00    -0.298 N 
ATOM     21  C   LIG    1       -1.098   0.899   1.947  0.00  0.00    +0.132 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.353  -0.060   2.498  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.164   0.489   1.336  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1       -5.331   1.241   1.575  0.00  0.00    +0.073 A 
ATOM     25 CL   LIG    1       -5.932   1.625   3.136  0.00  0.00    -0.081 Cl
ATOM     26  C   LIG    1       -6.115   1.733   0.513  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -5.715   1.440  -0.789  0.00  0.00    +0.067 A 
ATOM     28  N   LIG    1       -6.657   2.041  -1.585  0.00  0.00    -0.344 N 
ATOM     29  H   LIG    1       -6.676   2.028  -2.595  0.00  0.00    +0.167 HD
ATOM     30  C   LIG    1       -7.566   2.655  -0.774  0.00  0.00    +0.197 A 
ATOM     31  C   LIG    1       -4.586   0.680  -1.088  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1       -7.272   2.490   0.494  0.00  0.00    -0.234 NA
ATOM     33  C   LIG    1       -3.831   0.207  -0.004  0.00  0.00    +0.009 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 8