REMARK  Name = BDB049253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103  -0.324  -1.168  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -0.793  -0.380   0.000  0.00  0.00    +0.124 A 
ATOM      3  N   LIG    1       -0.021  -0.328   1.184  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1        1.357  -0.153   1.229  0.00  0.00    +0.170 A 
ATOM      5  N   LIG    1        1.752  -0.123   2.486  0.00  0.00    -0.129 NA
ATOM      6  N   LIG    1        0.654  -0.327   3.285  0.00  0.00    -0.137 NA
ATOM      7  C   LIG    1        2.069  -0.051  -0.009  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.386  -0.472   2.498  0.00  0.00    +0.231 A 
ATOM      9  C   LIG    1        1.351  -0.159  -1.151  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        3.540   0.107  -0.111  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        4.114   1.091  -0.934  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.502   1.228  -1.020  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.333   0.390  -0.280  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.779  -0.581   0.550  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.391  -0.720   0.636  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
BRANCH   1  17
ATOM     16  N   LIG    1       -1.278  -0.439  -3.469  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1       -0.749  -0.390  -2.438  0.00  0.00    +0.103 C 
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1       -2.185  -0.526   0.118  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1       -2.613  -0.843  -0.758  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.029   0.577   0.614  0.00  0.00    +0.177 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.481   0.260   0.565  0.00  0.00    +0.122 A 
ATOM     22  O   LIG    1       -5.021   0.100  -0.679  0.00  0.00    -0.466 OA
ATOM     23  C   LIG    1       -6.336  -0.188  -0.506  0.00  0.00    +0.195 A 
ATOM     24  C   LIG    1       -6.650  -0.218   0.832  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -5.450   0.070   1.527  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5