REMARK  Name = BDB062219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.911  -0.122   1.062  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -1.775  -0.961   2.118  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.935  -1.132   2.642  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -2.993  -1.451   2.459  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -3.281  -2.204   3.366  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -3.882  -0.815   1.450  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -5.201  -1.041   1.430  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -3.133   0.007   0.633  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -6.179  -0.456   0.498  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -7.471  -0.181   0.974  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -8.398   0.333   0.091  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -9.684   0.660   0.391  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1      -10.149   1.132  -0.891  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -9.145   1.073  -1.924  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -8.092   0.569  -1.228  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -6.843   0.299  -1.738  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -5.882  -0.224  -0.864  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.862   0.565   0.535  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.137   1.239  -0.171  0.00  0.00    +0.155 HD
BRANCH  18  23
ATOM     20  C   LIG    1        3.255  -0.407   0.360  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        2.313  -1.413   0.580  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        0.946  -1.117   0.630  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        0.490   0.192   0.454  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        1.446   1.195   0.235  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        2.815   0.902   0.187  0.00  0.00    +0.047 A 
BRANCH  20  26
ATOM     26  O   LIG    1        4.553  -0.834   0.337  0.00  0.00    -0.492 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.560   0.154   0.109  0.00  0.00    +0.229 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.914  -0.552   0.127  0.00  0.00    +0.041 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.106   0.399   0.003  0.00  0.00    +0.003 C 
BRANCH  29  31
ATOM     30  C   LIG    1        8.206   0.412  -2.547  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1        8.152   1.241  -1.274  0.00  0.00    -0.003 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 8