REMARK  Name = BDB012957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.041   0.648  -0.483  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.050   0.294   0.296  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        2.392   0.683  -0.118  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.320   0.044   0.923  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        2.550  -1.215   1.316  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.103  -0.741   1.320  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.112   1.241  -1.549  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.483  -0.307   0.236  0.00  0.00    +0.064 A 
ATOM      9  N   LIG    1       -3.041  -0.069   1.476  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -1.776   0.340   1.292  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -1.253   0.656   2.101  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -1.351   0.284  -0.005  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -2.471  -0.085  -0.725  0.00  0.00    +0.057 A 
BRANCH   8  14
ATOM     14  C   LIG    1       -4.891  -0.744   0.000  0.00  0.00    +0.057 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.839   0.443  -0.188  0.00  0.00    +0.006 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -8.218   1.151  -0.621  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -7.273  -0.025  -0.433  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   1  12
BRANCH   4  18
ATOM     18  N   LIG    1        4.649  -0.244   0.428  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        4.814  -1.112  -0.062  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        5.570   0.768   0.278  0.00  0.00    +0.216 C 
ATOM     21  O   LIG    1        5.374   1.919   0.646  0.00  0.00    -0.276 OA
BRANCH  20  22
ATOM     22  C   LIG    1        6.854   0.418  -0.389  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1        6.890  -0.415  -1.649  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        7.447  -0.972  -0.370  0.00  0.00    +0.013 C 
ENDBRANCH  20  22
ENDBRANCH   4  18
TORSDOF 6