REMARK  Name = BDB003211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.632   0.658  -1.076  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -3.535   0.236  -0.369  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -3.442  -0.129   0.925  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1       -4.257  -0.132   1.530  0.00  0.00    +0.152 HD
ATOM      5  C   LIG    1       -2.248  -0.586   1.482  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -2.315  -1.033   2.923  0.00  0.00    +0.051 C 
ATOM      7  C   LIG    1       -1.188  -1.990   3.291  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        0.156  -1.437   2.855  0.00  0.00    +0.080 C 
ATOM      9  C   LIG    1        0.162  -1.129   1.374  0.00  0.00    +0.162 C 
ATOM     10  O   LIG    1        1.203  -1.228   0.722  0.00  0.00    -0.292 OA
ATOM     11  C   LIG    1       -1.106  -0.642   0.750  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -1.052  -0.210  -0.713  0.00  0.00    +0.087 C 
ATOM     13  C   LIG    1       -2.405   0.216  -1.217  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -2.848   0.609  -2.463  0.00  0.00    +0.089 A 
ATOM     15  N   LIG    1       -4.191   0.888  -2.364  0.00  0.00    -0.363 N 
ATOM     16  H   LIG    1       -4.771   1.211  -3.128  0.00  0.00    +0.165 HD
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1       -0.119   0.975  -0.934  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        1.086   0.757  -1.618  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        2.069   1.744  -1.645  0.00  0.00    +0.132 A 
ATOM     20  C   LIG    1        1.819   3.006  -1.113  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        0.601   3.259  -0.484  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -0.352   2.244  -0.373  0.00  0.00    +0.005 A 
BRANCH  19  23
ATOM     23  O   LIG    1        3.307   1.505  -2.184  0.00  0.00    -0.425 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.090   0.533  -1.705  0.00  0.00    +0.302 A 
ATOM     25  N   LIG    1        3.801  -0.295  -0.646  0.00  0.00    -0.308 N 
ATOM     26  H   LIG    1        2.942  -0.309  -0.109  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        4.864  -1.145  -0.470  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        5.771  -0.765  -1.452  0.00  0.00    +0.093 A 
ATOM     29  C   LIG    1        6.994  -1.444  -1.550  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        7.258  -2.488  -0.653  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        6.322  -2.849   0.320  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        5.096  -2.183   0.434  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1        5.280   0.273  -2.204  0.00  0.00    -0.195 NA
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  12  17
BRANCH   1  35
ATOM     34  C   LIG    1       -6.270   2.253  -0.095  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -6.052   0.868  -0.681  0.00  0.00    +0.052 C 
ENDBRANCH   1  35
TORSDOF 4