REMARK  Name = BDB055625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.143  -0.943   0.192  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        1.264  -1.946   0.064  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.044  -1.649  -0.106  0.00  0.00    +0.136 A 
ATOM      4  C   LIG    1       -0.477  -0.331  -0.115  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1        0.499   0.631   0.007  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.805   0.350   0.173  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.888   0.036  -0.332  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.368   1.105   0.399  0.00  0.00    -0.308 N 
ATOM      9  H   LIG    1       -1.770   1.589   1.056  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.566  -0.602  -1.132  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.720   1.619   0.204  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1       -4.223   2.313   1.470  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1       -5.602   2.929   1.241  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1       -5.573   3.867   0.111  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1       -6.882   4.499  -0.062  0.00  0.00    +0.104 C 
ATOM     16  C   LIG    1       -5.162   3.195  -1.129  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -3.771   2.582  -0.984  0.00  0.00    +0.037 C 
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  N   LIG    1        3.468  -1.329   0.329  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1        3.433  -2.316   0.560  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.247  -0.534   1.269  0.00  0.00    +0.143 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.052   1.227   1.418  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1        5.166   0.480   0.612  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        5.164   0.706  -0.776  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        6.016   1.647  -1.352  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.885   2.378  -0.550  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.904   2.170   0.831  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.911   1.655   3.605  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        6.002   0.956   2.763  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   3  29
ATOM     29  N   LIG    1       -0.975  -2.704  -0.164  0.00  0.00    -0.325 N 
ATOM     30  H   LIG    1       -1.722  -2.456  -0.822  0.00  0.00    +0.148 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -0.443  -4.044  -0.385  0.00  0.00    +0.072 C 
ATOM     32  C   LIG    1        0.031  -4.255  -1.834  0.00  0.00    +0.022 C 
ATOM     33  C   LIG    1       -0.845  -5.363  -2.411  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -1.278  -6.161  -1.196  0.00  0.00    +0.002 C 
ATOM     35  C   LIG    1       -1.558  -5.078  -0.168  0.00  0.00    +0.022 C 
ENDBRANCH  29  31
ENDBRANCH   3  29
TORSDOF 8