REMARK  Name = BDB029698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.663  -1.747  -0.910  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.602  -1.186  -1.766  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.195  -2.305  -2.478  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.766  -3.333  -1.595  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.083  -3.410  -0.295  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.432  -3.101  -0.378  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.083   0.476  -0.030  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        3.995   1.125  -0.499  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        2.905   0.362  -0.769  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        2.805  -1.027  -0.608  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        3.967  -1.639  -0.119  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.115  -0.895   0.173  0.00  0.00    +0.035 A 
BRANCH   7  15
ATOM     13  N   LIG    1        6.971   0.993   1.431  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        6.521   0.384   2.102  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        6.287   1.318   0.268  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        6.623   2.235  -0.473  0.00  0.00    -0.269 OA
BRANCH  13  18
ATOM     17  C   LIG    1        7.611   3.029   2.649  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        8.082   1.799   1.893  0.00  0.00    +0.101 C 
ENDBRANCH  13  18
ENDBRANCH   7  15
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  C   LIG    1       -2.226  -3.381  -1.530  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.919  -2.200  -0.896  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -3.299  -1.077  -1.641  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -3.934  -0.021  -0.999  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -4.180  -0.114   0.367  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -4.844   0.995   1.040  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -5.249   2.102   0.384  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -4.953   2.187  -1.101  0.00  0.00    +0.253 A 
ATOM     27  O   LIG    1       -5.258   3.177  -1.761  0.00  0.00    -0.268 OA
ATOM     28  N   LIG    1       -3.841  -1.183   1.116  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1       -4.326   1.123  -1.696  0.00  0.00    -0.321 N 
ATOM     30  H   LIG    1       -4.152   1.215  -2.687  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -3.224  -2.198   0.467  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -5.913   3.239   1.060  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -7.334   3.582   0.686  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -7.040   3.000   2.035  0.00  0.00    +0.009 C 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6