REMARK  Name = BDB057841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.312   0.190  -0.050  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1       -3.882   0.866   0.960  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -3.071   1.461   1.836  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.676   1.409   1.736  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.883   2.090   2.696  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.473   2.792   3.744  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.857   2.828   3.844  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.175   0.670   0.649  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -3.637   2.167   2.891  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.985   0.090  -0.250  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.370  -1.120  -0.733  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1       -4.185  -0.432  -1.057  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1       -3.844  -0.352  -2.425  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.643  -0.928  -3.417  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.802  -1.612  -3.066  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -6.160  -1.718  -1.724  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -6.842  -0.496   0.925  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -5.725  -1.316   0.580  0.00  0.00    -0.494 OA
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  19
ATOM     19  N   LIG    1        0.222   0.558   0.474  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        0.635   0.215   1.336  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.630  -0.266  -0.658  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.140  -0.348  -0.679  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.906   0.783  -0.988  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.303   0.716  -1.002  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        4.974  -0.480  -0.705  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        4.198  -1.608  -0.390  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.800  -1.544  -0.376  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.442  -0.551  -0.722  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.191  -0.106  -1.813  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1        8.545  -0.139  -1.892  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1        9.198  -0.646  -0.827  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        8.564  -1.119   0.308  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.171  -1.070   0.356  0.00  0.00    +0.011 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   8  19
TORSDOF 6