REMARK  Name = BDB060774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.451  -0.786  -0.061  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -3.677  -0.311   0.201  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -4.746  -1.079  -0.126  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -4.622  -2.313  -0.728  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1       -3.329  -2.712  -0.961  0.00  0.00    +0.135 A 
ATOM      6  N   LIG    1       -2.245  -1.977  -0.638  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -6.030  -0.473   0.200  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -6.504   0.844  -0.101  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -7.788   0.956   0.434  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -8.561   2.118   0.314  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -8.002   3.200  -0.372  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.723   3.122  -0.916  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -8.077  -0.239   1.050  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -8.944  -0.440   1.529  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -5.965   1.953  -0.788  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -7.020  -1.103   0.931  0.00  0.00    +0.093 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  N   LIG    1       -1.407   0.053   0.311  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -1.791   0.881   0.744  0.00  0.00    +0.155 HD
BRANCH  17  22
ATOM     19  C   LIG    1        2.862  -0.084   0.152  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        2.081  -1.133  -0.351  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.676  -1.111  -0.310  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -0.015  -0.035   0.239  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        0.753   1.022   0.740  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        2.157   0.997   0.694  0.00  0.00    +0.025 A 
BRANCH  19  30
ATOM     25  C   LIG    1        9.322   0.694  -0.676  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        8.546  -0.411  -0.006  0.00  0.00    +0.213 C 
ATOM     27  N   LIG    1        7.178  -0.240   0.102  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1        6.367  -1.310   0.687  0.00  0.00    +0.126 C 
ATOM     29  C   LIG    1        4.963  -1.407   0.062  0.00  0.00    +0.124 C 
ATOM     30  N   LIG    1        4.247  -0.116   0.100  0.00  0.00    -0.327 N 
ATOM     31  C   LIG    1        5.056   1.096   0.296  0.00  0.00    +0.124 C 
ATOM     32  C   LIG    1        6.450   0.952  -0.344  0.00  0.00    +0.126 C 
ATOM     33  O   LIG    1        9.127  -1.407   0.425  0.00  0.00    -0.276 OA
ENDBRANCH  19  30
ENDBRANCH  17  22
ENDBRANCH   1  17
BRANCH   4  34
ATOM     34  C   LIG    1       -5.713  -3.139  -1.121  0.00  0.00    +0.103 C 
ATOM     35  N   LIG    1       -6.578  -3.843  -1.442  0.00  0.00    -0.191 NA
ENDBRANCH   4  34
TORSDOF 5