REMARK  Name = BDB052259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.878   0.147  -0.473  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.632  -0.078   0.141  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.613  -0.612   1.426  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.280  -0.713   1.735  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -1.906  -1.092   2.590  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.537  -0.228   0.683  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -4.766  -0.941   2.146  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.994  -0.706   1.519  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.346   0.164  -0.285  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -6.055  -0.171   0.230  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.071  -0.175   0.652  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        0.574   0.108  -0.559  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        1.969   0.166  -0.638  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        2.760  -0.052   0.497  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1        2.118  -0.335   1.710  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        0.720  -0.393   1.787  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.269   0.001   0.432  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1        4.855   1.281  -0.194  0.00  0.00    +0.089 C 
ATOM     19  N   LIG    1        5.695   0.838  -1.313  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1        6.490   1.462  -1.442  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        6.130  -0.514  -0.979  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        4.878  -1.137  -0.394  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1       -5.860   1.701  -2.032  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -6.214   2.234  -1.250  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.801   2.169  -2.928  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -4.953   0.691  -1.842  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -4.274   0.272  -2.767  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3