REMARK  Name = BDB054158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.554   1.279  -1.292  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.325   1.931  -1.448  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.812   1.236  -1.876  0.00  0.00    +0.045 A 
ATOM      4 CL   LIG    1       -2.273   2.153  -2.004  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -0.751  -0.142  -2.157  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.501  -0.777  -2.047  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.636  -0.075  -1.632  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.997  -0.975  -2.463  0.00  0.00    +0.042 C 
ATOM      9  C   LIG    1       -2.366  -1.899  -1.261  0.00  0.00    +0.029 C 
ATOM     10  C   LIG    1       -3.368  -3.002  -1.667  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1       -4.024  -2.733  -3.018  0.00  0.00    +0.081 C 
ATOM     12  N   LIG    1       -3.047  -2.602  -4.096  0.00  0.00    -0.315 NA
ATOM     13  H   LIG    1       -3.498  -2.206  -4.920  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -1.856  -1.820  -3.746  0.00  0.00    +0.089 C 
BRANCH   9  15
ATOM     15  C   LIG    1       -2.802  -1.091  -0.042  0.00  0.00    -0.037 A 
ATOM     16  C   LIG    1       -1.992  -0.930   1.020  0.00  0.00    +0.074 A 
ATOM     17  C   LIG    1       -2.376  -0.059   2.164  0.00  0.00    +0.251 A 
ATOM     18  O   LIG    1       -1.573   0.119   3.076  0.00  0.00    -0.268 OA
ATOM     19  N   LIG    1       -3.644   0.512   2.091  0.00  0.00    -0.318 N 
ATOM     20  C   LIG    1       -4.093   1.381   3.166  0.00  0.00    +0.152 C 
ATOM     21  C   LIG    1       -4.468   0.331   0.996  0.00  0.00    +0.089 A 
ATOM     22  C   LIG    1       -4.093  -0.428  -0.041  0.00  0.00    +0.022 A 
ENDBRANCH   9  15
ENDBRANCH   5   8
BRANCH   1  24
ATOM     23  C   LIG    1        2.917   2.227   0.615  0.00  0.00    -0.038 A 
ATOM     24  C   LIG    1        2.722   1.996  -0.768  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1        3.679   2.483  -1.678  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        4.800   3.188  -1.242  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.985   3.423   0.115  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.052   2.947   1.036  0.00  0.00    +0.004 A 
BRANCH  23  29
ATOM     29  C   LIG    1        1.964   1.709   1.681  0.00  0.00    +0.054 C 
BRANCH  29  30
ATOM     30  C   LIG    1        2.114   0.215   1.986  0.00  0.00    +0.109 C 
BRANCH  30  33
ATOM     31  C   LIG    1        5.158  -1.687   3.173  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1        3.704  -1.423   2.886  0.00  0.00    +0.210 C 
ATOM     33  N   LIG    1        3.448  -0.146   2.437  0.00  0.00    -0.315 N 
ATOM     34  H   LIG    1        4.225   0.354   2.024  0.00  0.00    +0.149 HD
ATOM     35  O   LIG    1        2.845  -2.287   3.026  0.00  0.00    -0.276 OA
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  23  29
ENDBRANCH   1  24
TORSDOF 6