REMARK  Name = BDB044312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.171  -0.872   0.656  0.00  0.00    -0.262 N 
ATOM      2  N   LIG    1       -2.154  -1.835   1.604  0.00  0.00    -0.177 NA
ATOM      3  C   LIG    1       -0.881  -2.244   1.622  0.00  0.00    +0.157 A 
ATOM      4  C   LIG    1       -0.083  -1.560   0.682  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.948  -0.691   0.062  0.00  0.00    +0.132 A 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        1.259  -1.653   0.374  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1        1.603  -1.057  -0.364  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        2.134  -2.557   0.954  0.00  0.00    +0.269 C 
ATOM      9  O   LIG    1        1.810  -3.424   1.761  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1        3.526  -2.389   0.486  0.00  0.00    +0.151 A 
ATOM     11  C   LIG    1        4.248  -1.179   0.261  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        3.886   0.253   0.438  0.00  0.00    +0.040 C 
ATOM     13  C   LIG    1        5.149   1.140   0.459  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1        6.204   0.776  -0.635  0.00  0.00    -0.029 C 
ATOM     15  C   LIG    1        6.655  -0.712  -0.496  0.00  0.00    +0.061 C 
ATOM     16  C   LIG    1        7.434   1.686  -0.462  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1        5.622   1.024  -2.042  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        5.492  -1.578  -0.169  0.00  0.00    +0.040 A 
ATOM     19  N   LIG    1        5.482  -2.936  -0.174  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        6.234  -3.576  -0.413  0.00  0.00    +0.189 HD
ATOM     21  N   LIG    1        4.305  -3.454   0.206  0.00  0.00    -0.169 NA
ENDBRANCH   8  10
ENDBRANCH   4   6
BRANCH   1  22
ATOM     22  C   LIG    1       -3.447  -0.208   0.326  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.261   1.307   0.277  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -3.332   2.036   1.478  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -3.152   3.420   1.491  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.892   4.099   0.304  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.808   3.395  -0.894  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.988   2.009  -0.909  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  29
ATOM     29  C   LIG    1       -4.069  -0.874  -0.919  0.00  0.00    +0.047 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.508  -0.426  -1.215  0.00  0.00    +0.086 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -6.677  -2.011   0.221  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1       -6.441  -0.599  -0.092  0.00  0.00    -0.308 NA
ATOM     33  C   LIG    1       -7.716   0.061  -0.388  0.00  0.00    +0.104 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH   1  22
TORSDOF 7