REMARK  Name = BDB057857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.481   1.304   4.297  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1        0.251   0.777   3.631  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.136   0.618   2.256  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1       -0.974   0.111   1.694  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -1.999  -0.212   2.505  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -1.984  -0.087   3.842  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -0.855   0.408   4.373  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.202  -0.807   1.895  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.884  -0.255   0.777  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -4.991  -0.951   0.242  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.447  -2.142   0.807  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.806  -2.668   1.918  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.699  -2.008   2.451  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.466   1.067   0.136  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -4.635   2.051  -0.005  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -2.799   0.825  -1.221  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        1.232   0.959   1.435  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        1.516   1.910   1.653  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.000   0.779   0.001  0.00  0.00    +0.109 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.267   1.099  -0.773  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1        3.400   0.061  -0.701  0.00  0.00    +0.111 C 
ATOM     22  N   LIG    1        3.579   0.283  -2.110  0.00  0.00    -0.328 N 
ATOM     23  C   LIG    1        2.233   0.757  -2.273  0.00  0.00    +0.111 C 
BRANCH  22  24
ATOM     24  C   LIG    1        4.303  -0.523  -3.009  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.036  -0.539  -4.379  0.00  0.00    +0.133 A 
ATOM     26  N   LIG    1        4.700  -1.288  -5.295  0.00  0.00    -0.261 NA
ATOM     27  C   LIG    1        5.700  -2.060  -4.825  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        6.064  -2.115  -3.490  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        5.356  -1.333  -2.578  0.00  0.00    +0.026 A 
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6