REMARK  Name = BDB065228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.065  -1.677   0.993  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        3.370  -1.474   0.798  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        3.756  -0.271   0.370  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1        2.857   0.769   0.132  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        3.342   2.011  -0.355  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1        4.704   2.216  -0.579  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1        5.602   1.172  -0.311  0.00  0.00    +0.164 A 
ATOM      8  C   LIG    1        1.509   0.472   0.398  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1        5.111  -0.054   0.152  0.00  0.00    +0.078 A 
ATOM     10  N   LIG    1        1.126  -0.750   0.800  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        2.348  -4.040   0.915  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1        1.599  -2.913   1.425  0.00  0.00    -0.316 N 
ATOM     13  H   LIG    1        0.608  -2.919   1.211  0.00  0.00    +0.149 HD
ENDBRANCH   1  12
BRANCH   7  14
ATOM     14  O   LIG    1        6.928   1.440  -0.543  0.00  0.00    -0.491 OA
ATOM     15  C   LIG    1        7.870   0.416  -0.256  0.00  0.00    +0.277 C 
ENDBRANCH   7  14
BRANCH   6  16
ATOM     16  O   LIG    1        5.250   3.385  -1.042  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1        4.361   4.418  -1.443  0.00  0.00    +0.277 C 
ENDBRANCH   6  16
BRANCH   8  18
ATOM     18  N   LIG    1        0.536   1.472   0.205  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        0.827   2.302   0.715  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -0.890   1.192   0.448  0.00  0.00    +0.074 C 
ATOM     21  C   LIG    1       -1.478   0.151  -0.513  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -2.547  -0.711   0.162  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1       -3.424   0.140   0.971  0.00  0.00    -0.298 NA
ATOM     24  C   LIG    1       -2.716   0.716   2.125  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1       -1.208   0.903   1.915  0.00  0.00    +0.037 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.645  -0.556   1.409  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.608  -0.858   0.280  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1       -6.069   0.168  -0.559  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -6.971  -0.107  -1.588  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.427  -1.408  -1.786  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.983  -2.435  -0.955  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.080  -2.163   0.074  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 7