REMARK  Name = BDB061984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.521   0.284  -0.064  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1       -2.017   1.337  -0.789  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1       -0.666   1.176  -0.709  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1       -0.417   0.048   0.050  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        0.911  -0.336   0.281  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        1.949   0.442  -0.269  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.640   1.579  -1.032  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        0.315   1.977  -1.273  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1       -1.601  -0.513   0.455  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -6.786  -0.041   0.254  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1       -5.946  -0.978   0.865  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.557  -0.861   0.756  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.976   0.190   0.031  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -4.824   1.122  -0.584  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -6.214   1.007  -0.476  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -8.855  -1.016  -0.776  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -8.284  -0.175   0.356  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1        3.267   0.007  -0.003  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        3.337  -0.832   0.565  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        4.452   0.585  -0.420  0.00  0.00    +0.251 C 
ATOM     21  O   LIG    1        4.553   1.595  -1.107  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        5.718  -0.088   0.009  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1        5.740  -1.246   0.793  0.00  0.00    +0.136 A 
ATOM     24  F   LIG    1        4.601  -1.821   1.207  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        6.943  -1.844   1.171  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        8.156  -1.286   0.767  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1        8.152  -0.126  -0.019  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1        6.942   0.474  -0.399  0.00  0.00    +0.048 A 
BRANCH  27  29
ATOM     29  N   LIG    1        9.428   0.465  -0.447  0.00  0.00    +0.056 N 
ATOM     30  O   LIG    1       10.470  -0.100  -0.087  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1        9.385   1.490  -1.140  0.00  0.00    -0.126 OA
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   6  18
TORSDOF 5