REMARK  Name = BDB061380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.716   4.633   1.342  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1        0.042   3.408   0.805  0.00  0.00    +0.130 A 
ATOM      3  N   LIG    1       -0.917   3.597  -0.118  0.00  0.00    -0.215 NA
ATOM      4  C   LIG    1       -1.478   2.443  -0.499  0.00  0.00    +0.144 A 
ATOM      5  C   LIG    1       -1.175   1.166  -0.050  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -2.055   0.274  -0.747  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -2.839   1.041  -1.592  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1       -0.143   1.071   0.905  0.00  0.00    +0.132 A 
ATOM      9  N   LIG    1       -2.478   2.352  -1.427  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1       -2.877   3.150  -1.898  0.00  0.00    +0.167 HD
ATOM     11  N   LIG    1        0.436   2.225   1.325  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.210  -1.167  -0.652  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1       -2.482  -1.768   0.578  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -2.633  -3.145   0.629  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1       -2.517  -3.934  -0.453  0.00  0.00    -0.241 NA
ATOM     16  C   LIG    1       -2.248  -3.333  -1.632  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -2.091  -1.967  -1.784  0.00  0.00    +0.028 A 
BRANCH  14  18
ATOM     18  N   LIG    1       -2.880  -3.788   1.839  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -3.683  -3.394   2.315  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -3.002  -4.775   1.630  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  N   LIG    1        0.282  -0.153   1.436  0.00  0.00    -0.323 N 
ATOM     22  H   LIG    1        0.101  -0.896   0.760  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.688  -0.197   1.842  0.00  0.00    +0.161 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.605  -0.389   0.650  0.00  0.00    +0.093 A 
ATOM     25  C   LIG    1        3.893   0.134   0.679  0.00  0.00    +0.146 A 
ATOM     26  F   LIG    1        4.337   0.826   1.737  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1        4.737  -0.074  -0.404  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.276  -0.811  -1.491  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        2.986  -1.316  -1.444  0.00  0.00    +0.111 A 
ATOM     30  N   LIG    1        2.144  -1.133  -0.403  0.00  0.00    -0.255 NA
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5