REMARK  Name = BDB021085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.174  -1.715  -0.692  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        0.967  -0.934  -0.389  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.044  -0.808  -1.286  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.134   0.033  -0.991  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.215   0.727   0.223  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.182   0.541   1.147  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.032  -1.570  -2.581  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        1.305  -2.882  -2.359  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.089  -0.282   0.849  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.108  -2.603  -1.871  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -3.845   4.173   0.623  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -2.688   3.249   0.345  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -2.961   1.888   0.268  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -1.838   1.025  -0.126  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -2.135  -0.417   0.085  0.00  0.00    +0.078 A 
ATOM     16  N   LIG    1       -3.355  -0.864   0.530  0.00  0.00    -0.327 N 
ATOM     17  C   LIG    1       -3.356  -2.226   0.506  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1       -2.209  -2.683   0.059  0.00  0.00    -0.217 NA
ATOM     19  C   LIG    1       -4.444   0.015   0.887  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -1.426  -1.578  -0.168  0.00  0.00    +0.149 A 
ATOM     21  C   LIG    1       -4.311   1.332   0.133  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -1.554   3.708   0.208  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -4.533  -3.148   0.932  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.710  -4.472   0.235  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -5.679  -3.357  -0.024  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   5  26
ATOM     26  C   LIG    1        4.349   1.612   0.523  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1        5.668   1.146   0.466  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        6.727   2.011   0.753  0.00  0.00    +0.144 A 
ATOM     29  N   LIG    1        6.517   3.313   1.098  0.00  0.00    -0.251 NA
ATOM     30  C   LIG    1        5.241   3.748   1.146  0.00  0.00    +0.112 A 
ATOM     31  C   LIG    1        4.144   2.950   0.873  0.00  0.00    +0.028 A 
BRANCH  28  32
ATOM     32  C   LIG    1        8.149   1.466   0.703  0.00  0.00    +0.434 C 
ATOM     33  F   LIG    1        8.382   0.720  -0.419  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1        8.428   0.638   1.751  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1        9.121   2.422   0.713  0.00  0.00    -0.164 F 
ENDBRANCH  28  32
ENDBRANCH   5  26
TORSDOF 4