REMARK  Name = BDB012793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.320   1.946  -1.544  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.974   1.397  -0.933  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.743   2.580  -0.565  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        3.097   2.681  -0.297  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        3.627   3.791  -0.217  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.947   3.785  -0.734  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.488   3.292  -0.833  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.447  -0.899  -3.925  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -2.970  -0.370  -2.606  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.930   0.495  -2.625  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.486   1.000  -1.450  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.061   0.643  -0.233  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -3.131  -0.255  -0.216  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -3.592  -0.766  -1.429  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -3.744  -0.636   1.045  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -4.347  -1.851   1.305  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -4.771  -1.800   2.602  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -5.457  -2.837   3.334  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -4.486  -0.637   3.213  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -3.863   0.069   2.266  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.897   1.492  -0.119  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        5.269   1.592  -0.099  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        5.812   2.444  -0.198  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        5.911   0.423   0.063  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        4.917  -0.451   0.198  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1        3.648   0.150   0.095  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        5.149  -1.966   0.427  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1        4.634  -2.611   1.688  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        6.108  -2.407   1.502  0.00  0.00    +0.010 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4