REMARK  Name = BDB029693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.973   2.990   1.810  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1       -0.357   1.832   2.481  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        0.959   1.304   1.940  0.00  0.00    +0.092 C 
ATOM      4  N   LIG    1        1.541   1.842   0.691  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1        0.983   3.131   0.240  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1       -0.282   0.460   1.877  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -0.554   3.168   0.413  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.727   1.329   0.151  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        3.522   2.003  -0.782  0.00  0.00    +0.134 A 
ATOM     10  N   LIG    1        4.651   1.522  -1.363  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        5.053   0.281  -0.998  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        4.373  -0.470  -0.047  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        3.207   0.062   0.516  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        6.293  -0.234  -1.674  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1        6.387  -1.614  -1.809  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        5.578  -2.196  -1.616  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        7.149   0.537  -2.101  0.00  0.00    -0.269 OA
BRANCH  15  18
ATOM     18  C   LIG    1        7.489  -2.225  -2.481  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1        7.845  -3.663  -2.215  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        8.748  -2.565  -1.732  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  21
ATOM     21  C   LIG    1       -2.407   3.170   2.048  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -6.258  -1.572  -0.226  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -5.744  -1.991   1.122  0.00  0.00    +0.252 A 
ATOM     24  O   LIG    1       -6.058  -3.062   1.632  0.00  0.00    -0.268 OA
ATOM     25  N   LIG    1       -4.901  -1.123   1.768  0.00  0.00    -0.321 N 
ATOM     26  H   LIG    1       -4.561  -1.426   2.669  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -4.526   0.118   1.239  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1       -5.017   0.520  -0.002  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1       -4.716   1.700  -0.582  0.00  0.00    -0.253 NA
ATOM     30  C   LIG    1       -3.884   2.510   0.112  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1       -3.330   2.201   1.357  0.00  0.00    -0.013 A 
ATOM     32  C   LIG    1       -3.672   0.969   1.929  0.00  0.00    +0.034 A 
ATOM     33  C   LIG    1       -5.911  -0.374  -0.731  0.00  0.00    +0.038 A 
BRANCH  22  35
ATOM     34  C   LIG    1       -6.435  -3.702  -1.553  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -7.178  -2.522  -0.940  0.00  0.00    +0.037 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6