REMARK  Name = BDB053728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.644   1.039  -0.320  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.405   2.419  -0.337  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1        0.795   2.652  -1.011  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.198   1.443  -1.569  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1        2.309   1.311  -2.339  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        3.035   2.430  -2.508  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        2.743   3.662  -1.951  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        1.600   3.794  -1.169  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.284   0.443  -1.171  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        0.286  -0.939  -1.613  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1        1.288  -1.772  -1.126  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.314  -1.376  -0.159  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        2.836  -2.576   0.651  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        3.364  -3.689  -0.155  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.366  -3.565  -0.296  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        2.718  -3.773  -1.479  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        1.305  -3.170  -1.550  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1       -0.579  -1.339  -2.391  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.239   3.435   0.239  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -1.955   3.206   1.420  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -2.766   4.207   1.962  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.877   5.441   1.326  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.182   5.675   0.143  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.369   4.677  -0.401  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.683   0.544   0.371  0.00  0.00    -0.438 OA
BRANCH  25  29
ATOM     26  C   LIG    1       -3.281  -4.014  -0.336  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -2.513  -3.019   0.481  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -2.454  -1.678   0.086  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1       -1.678  -0.762   0.801  0.00  0.00    +0.133 A 
ATOM     30  C   LIG    1       -0.982  -1.153   1.954  0.00  0.00    -0.008 A 
ATOM     31  C   LIG    1       -0.228  -0.173   2.804  0.00  0.00    +0.047 C 
ATOM     32  C   LIG    1       -1.046  -2.499   2.345  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -1.790  -3.424   1.607  0.00  0.00    +0.004 A 
ENDBRANCH  25  29
ENDBRANCH   1  25
TORSDOF 4