REMARK  Name = BDB012794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.054  -0.750   0.517  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.555   0.389  -0.373  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -0.897   0.321  -0.281  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.673   1.312  -0.856  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.136   2.239  -1.464  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.314  -0.960   0.269  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.044  -1.801   0.305  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.076  -4.127  -1.310  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        3.905  -2.781  -0.671  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        2.643  -2.391  -0.378  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        2.461  -1.179   0.195  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        3.527  -0.332   0.486  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        4.828  -0.737   0.179  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        5.015  -1.988  -0.408  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.969   0.115   0.467  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.956   1.495   0.465  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1        7.228   1.892   0.763  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1        7.713   3.247   0.871  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        8.076   0.868   0.961  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        7.311  -0.211   0.778  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -3.111   1.258  -0.752  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1       -3.885   2.061  -1.549  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1       -3.551   2.724  -2.241  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1       -5.207   1.919  -1.369  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1       -5.310   1.018  -0.386  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -4.022   0.586   0.037  0.00  0.00    +0.058 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -6.661   0.579   0.157  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -7.836   1.234  -0.601  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -6.778   0.967   1.644  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -6.809  -0.951   0.026  0.00  0.00    +0.017 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4