REMARK  Name = BDB057601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.113   1.127   0.826  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.218   1.218   1.182  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -0.315   2.502   1.805  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -1.476   3.131   2.487  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1        0.843   3.177   1.756  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        1.690   2.312   1.169  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        2.662   2.563   1.031  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.200   0.164   0.961  0.00  0.00    +0.253 C 
ATOM      9  N   LIG    1       -2.495   0.625   0.809  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -2.602   1.625   0.713  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -0.845  -1.007   0.862  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.669  -0.140   0.643  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -4.857   0.558   0.371  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -6.077  -0.115   0.199  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -6.098  -1.504   0.305  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -4.923  -2.206   0.582  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.714  -1.528   0.751  0.00  0.00    +0.023 A 
BRANCH  14  18
ATOM     18  N   LIG    1       -7.216   0.671  -0.078  0.00  0.00    -0.286 N 
ATOM     19  H   LIG    1       -7.065   1.670  -0.136  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -8.515   0.233  -0.271  0.00  0.00    +0.214 C 
ATOM     21  O   LIG    1       -8.922  -0.921  -0.212  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1       -9.465   1.372  -0.547  0.00  0.00    +0.109 C 
ENDBRANCH  14  18
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  23
ATOM     23  N   LIG    1        1.833   0.138   0.250  0.00  0.00    -0.221 N 
ATOM     24  H   LIG    1        1.361  -0.764   0.113  0.00  0.00    +0.176 HD
BRANCH  23  26
ATOM     25  C   LIG    1        3.721  -0.802  -0.489  0.00  0.00    +0.138 C 
ATOM     26  N   LIG    1        3.164   0.260   0.002  0.00  0.00    -0.189 NA
BRANCH  25  30
ATOM     27  C   LIG    1        7.880  -0.999  -1.466  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        7.051  -2.105  -1.666  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        5.691  -2.032  -1.344  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        5.159  -0.851  -0.820  0.00  0.00    -0.005 A 
ATOM     31  C   LIG    1        5.982   0.257  -0.618  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        7.338   0.178  -0.941  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1        9.824  -2.111  -2.269  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        9.219  -0.939  -1.737  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  25  30
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 7