REMARK  Name = BDB014962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.078  -1.014  -0.282  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.072  -1.954  -0.665  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -3.573  -5.202  -0.634  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.577  -4.077  -0.646  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.084  -2.784  -0.509  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.646  -2.474  -0.640  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.341  -1.117  -0.115  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.104  -0.443   0.049  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.304   0.781   0.546  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.636   0.899   0.710  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -3.301  -0.223   0.316  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.758  -0.514   0.329  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.037  -1.665  -0.657  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -5.778  -4.326  -0.758  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -3.140   2.151   1.227  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -3.975   2.951   0.235  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -5.054   3.556   0.972  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -4.807   3.348   2.367  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -4.023   2.060   2.457  0.00  0.00    +0.057 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.409  -0.541  -0.196  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.444  -1.376  -0.653  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.132  -2.586  -1.147  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.784  -0.996  -0.615  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.131   0.258  -0.110  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        3.119   1.105   0.356  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.774   0.708   0.310  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.517   0.678  -0.071  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        6.155   1.870  -0.530  0.00  0.00    +0.136 A 
ATOM     29  N   LIG    1        7.479   1.830  -0.285  0.00  0.00    -0.170 NA
ATOM     30  N   LIG    1        7.671   0.652   0.329  0.00  0.00    -0.273 N 
ATOM     31  C   LIG    1        8.999   0.287   0.760  0.00  0.00    +0.172 C 
ATOM     32  C   LIG    1        6.533  -0.082   0.468  0.00  0.00    +0.117 A 
BRANCH  28  33
ATOM     33  C   LIG    1        5.506   3.030  -1.227  0.00  0.00    +0.392 C 
ATOM     34  F   LIG    1        6.403   3.889  -1.788  0.00  0.00    -0.202 F 
ATOM     35  F   LIG    1        4.763   3.776  -0.360  0.00  0.00    -0.202 F 
ENDBRANCH  28  33
ENDBRANCH  24  27
ENDBRANCH   1  20
TORSDOF 5