REMARK  Name = BDB051292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.614  -0.373  -0.284  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1        2.791  -0.800  -0.784  0.00  0.00    -0.160 NA
ATOM      3  N   LIG    1        3.720  -0.049  -0.170  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1        3.178   0.848   0.717  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        3.968   1.707   1.445  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        3.572   2.374   2.096  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        5.344   1.691   1.307  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        5.928   0.712   0.341  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        7.313   0.651   0.158  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        7.854  -0.267  -0.748  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.017  -1.122  -1.472  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        5.634  -1.070  -1.298  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        6.055   2.452   1.954  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        5.101  -0.151  -0.391  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        1.820   0.671   0.669  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1       -0.746  -0.700   0.102  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -0.539  -0.415   1.049  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        0.332  -0.959  -0.732  0.00  0.00    +0.264 C 
ATOM     19  O   LIG    1        0.222  -1.636  -1.750  0.00  0.00    -0.268 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -2.024  -1.344  -0.136  0.00  0.00    +0.108 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -6.816   1.259  -0.199  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -5.836   0.211  -0.473  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1       -4.566   0.756  -0.970  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1       -3.453   0.763   0.078  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1       -3.166  -0.651   0.619  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.428  -1.531   0.578  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -5.696  -0.687   0.680  0.00  0.00    +0.084 C 
ENDBRANCH  20  25
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 3