REMARK  Name = BDB043221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.586  -2.108  -0.022  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -1.492  -1.123  -0.088  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.053   0.140  -0.033  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.239   0.469   0.074  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1        1.156  -0.508   0.142  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.763  -1.830   0.080  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.502  -0.164   0.225  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        2.822   1.269   0.119  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        4.354   1.453   0.036  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        5.085   0.966   1.228  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        6.424   0.512   0.860  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        4.325  -0.079   1.942  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        3.406  -0.967   1.068  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1       -0.976  -3.462  -0.112  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -0.430  -4.052   0.504  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1       -5.548  -4.285  -1.885  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1       -4.217  -4.312  -1.243  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1       -3.755  -5.395  -0.551  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -4.225  -6.279  -0.386  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1       -2.520  -5.232  -0.053  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1       -2.178  -3.993  -0.417  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1       -3.203  -3.383  -1.176  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1       -2.059   1.102  -0.103  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1       -2.948   0.626  -0.162  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.083   2.496  -0.010  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -3.311   3.158  -0.176  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -3.404   4.553  -0.115  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -2.261   5.319   0.110  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1       -1.031   4.681   0.270  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -0.948   3.283   0.206  0.00  0.00    +0.024 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -2.348   6.749   0.173  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1       -2.422   7.906   0.224  0.00  0.00    -0.191 NA
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 6