REMARK  Name = BDB014927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.159   5.385  -0.485  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -3.556   4.214  -1.073  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.002   4.380  -1.900  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.266   3.040  -1.115  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.609   1.991  -1.736  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1       -2.137   1.875  -1.783  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1       -1.709   0.709  -0.952  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.427   0.301  -0.505  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -0.518  -0.830   0.201  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -1.830  -1.140   0.231  0.00  0.00    -0.263 N 
ATOM     11  C   LIG    1       -2.584  -0.249  -0.471  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.058  -0.227  -0.694  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.346   0.723  -1.878  0.00  0.00    +0.116 C 
ATOM     14  O   LIG    1       -5.400   2.942  -0.655  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -2.236  -2.337   0.958  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1       -3.278  -2.065   2.041  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -3.566  -3.341   2.827  0.00  0.00    +0.162 C 
ATOM     18  O   LIG    1       -3.380  -4.534   2.063  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1       -3.700  -4.376   0.687  0.00  0.00    +0.162 C 
ATOM     20  C   LIG    1       -2.674  -3.470   0.020  0.00  0.00    +0.055 C 
ENDBRANCH  10  15
BRANCH   8  21
ATOM     21  N   LIG    1        0.696   0.998  -0.795  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        0.607   1.855  -1.331  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.052   0.776  -0.458  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1        3.012   1.697  -0.912  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        2.607   2.748  -1.644  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        4.372   1.562  -0.634  0.00  0.00    +0.051 A 
ATOM     27  C   LIG    1        4.826   0.475   0.120  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        3.875  -0.448   0.579  0.00  0.00    +0.133 A 
ATOM     29  F   LIG    1        4.245  -1.502   1.324  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        2.513  -0.304   0.295  0.00  0.00    +0.065 A 
BRANCH  27  31
ATOM     31  C   LIG    1        6.245   0.341   0.406  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        6.915  -0.849   0.601  0.00  0.00    +0.116 A 
ATOM     33  N   LIG    1        8.221  -0.528   0.827  0.00  0.00    -0.274 N 
ATOM     34  C   LIG    1        9.306  -1.439   1.096  0.00  0.00    +0.172 C 
ATOM     35  N   LIG    1        8.463   0.794   0.774  0.00  0.00    -0.179 NA
ATOM     36  C   LIG    1        7.261   1.320   0.523  0.00  0.00    +0.143 A 
ENDBRANCH  27  31
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4