REMARK  Name = BDB054479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.219  -0.108  -0.553  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.123  -0.224  -0.527  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.550  -1.296   0.162  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.239  -2.224   0.809  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -0.667  -3.135   1.377  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -1.941  -2.821   1.122  0.00  0.00    -0.177 NA
ATOM      7  C   LIG    1        1.606  -2.027   0.732  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -1.849  -1.690   0.378  0.00  0.00    -0.243 N 
ATOM      9  N   LIG    1        2.079  -0.960   0.047  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.031  -1.018  -0.129  0.00  0.00    +0.113 C 
ATOM     11  C   LIG    1       -3.744  -0.051   0.848  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -5.104  -0.703   1.190  0.00  0.00    -0.006 C 
ATOM     13  C   LIG    1       -5.231  -0.661   2.709  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -3.793  -0.624   3.207  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -5.052  -2.113   0.608  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1       -3.091   0.272   2.196  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -4.139  -1.972  -0.600  0.00  0.00    +0.027 C 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     18  N   LIG    1        1.687   1.000  -1.267  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        0.877   1.493  -1.619  0.00  0.00    +0.155 HD
BRANCH  18  24
ATOM     20  C   LIG    1        5.194   3.739  -3.160  0.00  0.00    +0.149 C 
ATOM     21  N   LIG    1        4.551   2.727  -2.349  0.00  0.00    -0.344 N 
ATOM     22  C   LIG    1        5.183   1.725  -1.638  0.00  0.00    +0.106 A 
ATOM     23  C   LIG    1        4.176   0.893  -1.164  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        2.930   1.444  -1.529  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        3.188   2.581  -2.256  0.00  0.00    +0.109 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.603   1.535  -1.456  0.00  0.00    +0.258 C 
ATOM     27  O   LIG    1        7.166   0.447  -1.417  0.00  0.00    -0.269 OA
ATOM     28  N   LIG    1        7.324   2.676  -1.241  0.00  0.00    -0.324 N 
ATOM     29  H   LIG    1        8.266   2.501  -0.913  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        6.850   3.472  -0.841  0.00  0.00    +0.145 HD
ENDBRANCH  22  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 4