REMARK  Name = BDB062147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.606   2.011  -1.294  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -2.655   1.100  -1.302  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -3.660   1.770  -1.971  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -4.954   1.253  -2.345  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -3.210   3.025  -2.272  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -1.970   3.199  -1.883  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.747  -0.285  -0.826  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.552  -0.659   0.288  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -3.614  -2.028   0.671  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.429  -2.385   1.775  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -5.154  -1.436   2.495  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.082  -0.101   2.135  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.857  -2.980  -0.059  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -2.060  -2.588  -1.139  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.291   0.279   1.051  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -2.007  -1.252  -1.518  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -2.873  -4.377   0.280  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -2.889  -5.506   0.548  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1        0.568   1.609  -3.204  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        0.787   1.535  -1.715  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1       -0.262   1.763  -0.793  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        0.005   1.744   0.593  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -1.051   2.005   1.632  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        1.303   1.437   1.039  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.345   1.197   0.136  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        2.076   1.252  -1.236  0.00  0.00    +0.009 A 
BRANCH  25  27
ATOM     27  C   LIG    1        3.736   0.864   0.629  0.00  0.00    +0.116 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.008  -0.560   0.452  0.00  0.00    -0.307 NA
ATOM     29  H   LIG    1        3.240  -1.089   0.866  0.00  0.00    +0.123 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.290  -1.048   0.985  0.00  0.00    +0.011 C 
ATOM     31  C   LIG    1        5.324  -0.993   2.521  0.00  0.00    +0.027 C 
ATOM     32  C   LIG    1        6.490  -0.281   0.405  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1        5.399  -2.522   0.548  0.00  0.00    +0.027 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 6