REMARK  Name = BDB011108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.599  -0.026   0.070  0.00  0.00    +0.167 A 
ATOM      2  N   LIG    1        1.243  -1.302   0.290  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.063  -1.502   0.438  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1       -0.648  -2.808   0.618  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -2.047  -2.454   1.002  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -2.373  -1.089   0.374  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -3.055  -3.562   0.662  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1       -2.877  -4.094  -0.656  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -1.552  -4.640  -0.782  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1       -0.506  -3.528  -0.668  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1       -1.009  -0.497   0.352  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.578   0.784   0.119  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1        0.740   1.015  -0.025  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        5.688   0.793  -0.406  0.00  0.00    +0.213 A 
ATOM     15  N   LIG    1        4.837   1.817  -0.487  0.00  0.00    -0.222 NA
ATOM     16  C   LIG    1        3.524   1.522  -0.333  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1        3.021   0.259  -0.088  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        4.007  -0.705  -0.007  0.00  0.00    +0.127 A 
ATOM     19  N   LIG    1        5.333  -0.468  -0.153  0.00  0.00    -0.222 NA
BRANCH  14  20
ATOM     20  N   LIG    1        7.032   1.065  -0.541  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1        7.569   0.357  -0.060  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        7.208   2.029  -0.300  0.00  0.00    +0.145 HD
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH  12  23
ATOM     23  N   LIG    1       -1.480   1.841  -0.022  0.00  0.00    -0.310 N 
ATOM     24  C   LIG    1       -0.934   3.044  -0.683  0.00  0.00    +0.134 C 
ATOM     25  C   LIG    1       -1.997   4.153  -0.672  0.00  0.00    +0.178 C 
ATOM     26  O   LIG    1       -2.389   4.562   0.650  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1       -2.103   3.579   1.654  0.00  0.00    +0.178 C 
ATOM     28  C   LIG    1       -2.308   2.134   1.169  0.00  0.00    +0.134 C 
ENDBRANCH  12  23
TORSDOF 3