REMARK  Name = BDB031528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.003   0.948   1.052  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        1.411   0.517   1.218  0.00  0.00    +0.111 C 
ATOM      3  C   LIG    1        1.682   1.115  -0.188  0.00  0.00    +0.115 C 
ATOM      4  C   LIG    1        0.180   0.804  -0.420  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   3   5
ATOM      5  N   LIG    1        2.625   0.317  -0.996  0.00  0.00    -0.340 N 
ATOM      6  C   LIG    1        3.929   0.060  -0.635  0.00  0.00    +0.068 A 
ATOM      7  C   LIG    1        4.474  -0.702  -1.670  0.00  0.00    +0.090 A 
ATOM      8  N   LIG    1        5.741  -1.174  -1.664  0.00  0.00    -0.241 NA
ATOM      9  C   LIG    1        6.467  -0.843  -0.571  0.00  0.00    +0.126 A 
ATOM     10  C   LIG    1        6.007  -0.074   0.497  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        3.490  -0.844  -2.675  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.698   0.404   0.482  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        2.365  -0.169  -2.250  0.00  0.00    +0.089 A 
BRANCH   9  14
ATOM     14  C   LIG    1        7.874  -1.357  -0.551  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.841  -0.438  -0.163  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.596   0.543  -0.183  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       10.238  -0.783  -0.250  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.135  -2.511  -0.871  0.00  0.00    -0.269 OA
ENDBRANCH   9  14
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1       -0.917  -0.070   1.579  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -7.173   0.656  -0.091  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.645  -0.572  -0.772  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -7.347  -1.258  -1.508  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -5.334  -0.901  -0.540  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -4.999  -1.733  -1.005  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.488  -0.144   0.279  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -4.970   1.004   0.902  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -4.224   1.792   1.704  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -2.937   1.413   1.884  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.360   0.278   1.311  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.165  -0.515   0.485  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -6.360   1.393   0.687  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -9.579   0.178   0.455  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.607   1.027  -0.352  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5