REMARK  Name = BDB015849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.374   0.047  -0.098  0.00  0.00    +0.164 A 
ATOM      2  N   LIG    1       -0.725  -0.660   0.218  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -1.908  -0.012   0.155  0.00  0.00    +0.226 A 
ATOM      4  C   LIG    1       -2.049   1.317  -0.213  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -0.854   1.939  -0.517  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.356   1.341  -0.467  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.138  -0.585  -0.242  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.886   0.050  -0.296  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.681  -0.639  -0.038  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.779  -2.006   0.279  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.015  -2.655   0.335  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.187  -1.947   0.075  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        8.857   0.970  -0.257  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.443   0.842  -0.510  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.831   1.730  -1.312  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.559   1.321  -1.316  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.350   0.168  -0.522  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.601  -0.111  -0.011  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.318   2.015  -0.295  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -3.499   3.366  -0.065  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.832   3.611  -0.241  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.509   4.878  -0.103  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.536   2.518  -0.577  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.617   1.549  -0.606  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  O   LIG    1       -3.050  -0.715   0.498  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.812  -2.068   0.892  0.00  0.00    +0.238 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.152  -2.679   1.264  0.00  0.00    +0.078 C 
ATOM     28  C   LIG    1       -5.071  -3.022   0.088  0.00  0.00    +0.169 C 
ATOM     29  O   LIG    1       -4.801  -4.437   0.241  0.00  0.00    -0.379 OA
ATOM     30  C   LIG    1       -4.126  -4.192   1.497  0.00  0.00    +0.169 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 6