REMARK  Name = BDB021550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.056  -0.675  -0.919  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        2.626   0.317  -0.041  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.537   0.114   0.835  0.00  0.00    +0.137 A 
ATOM      4  O   LIG    1        1.327   1.227   1.593  0.00  0.00    -0.487 OA
ATOM      5  C   LIG    1        0.206   1.369   2.455  0.00  0.00    +0.188 C 
ATOM      6  C   LIG    1       -1.091   0.804   1.883  0.00  0.00    +0.152 C 
ATOM      7  N   LIG    1       -1.214  -0.624   2.123  0.00  0.00    -0.291 N 
ATOM      8  C   LIG    1       -0.280  -1.544   1.672  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.404  -2.746   1.911  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.559   0.901   3.864  0.00  0.00    +0.053 C 
ATOM     11  C   LIG    1        0.870  -1.115   0.825  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        1.318  -2.109  -0.075  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.392  -1.891  -0.939  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  14
ATOM     14  O   LIG    1        4.097  -0.556  -1.803  0.00  0.00    -0.486 OA
BRANCH  14  19
ATOM     15  C   LIG    1        9.248   0.797  -2.390  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1        8.387   0.816  -1.156  0.00  0.00    +0.213 C 
ATOM     17  N   LIG    1        7.039   0.866  -1.388  0.00  0.00    -0.295 N 
ATOM     18  C   LIG    1        5.982   0.519  -0.450  0.00  0.00    +0.154 C 
ATOM     19  C   LIG    1        5.019   0.547  -1.657  0.00  0.00    +0.208 C 
ATOM     20  C   LIG    1        6.273   0.467  -2.556  0.00  0.00    +0.154 C 
ATOM     21  O   LIG    1        8.868   0.782  -0.026  0.00  0.00    -0.276 OA
ENDBRANCH  14  19
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  C   LIG    1       -2.448  -1.107   2.757  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.676  -1.031   1.823  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -4.867  -1.043   2.626  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -4.893  -0.204   3.116  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -3.720  -2.214   0.828  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.428  -2.050  -0.453  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -3.713  -1.255  -1.452  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -3.979   0.230  -1.403  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -5.177   0.729  -0.866  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -5.420   2.110  -0.875  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.486   2.988  -1.425  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.303   2.495  -1.968  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.173  -0.202  -0.218  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -3.052   1.123  -1.963  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -5.844  -1.696  -0.378  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 7