REMARK  Name = BDB051640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.399  -1.070  -0.079  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.988  -0.991  -0.217  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.710   0.129  -0.844  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -1.717   0.075  -2.385  0.00  0.00    +0.131 C 
ATOM      5  N   LIG    1       -2.375   1.252  -2.925  0.00  0.00    -0.309 N 
ATOM      6  H   LIG    1       -2.164   1.579  -3.861  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.551   1.737  -2.396  0.00  0.00    +0.244 C 
ATOM      8  C   LIG    1       -4.014   1.120  -1.120  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -5.318   1.351  -0.676  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.787   0.701   0.466  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.969  -0.203   1.146  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.664  -0.449   0.703  0.00  0.00    -0.040 A 
ATOM     13  C   LIG    1       -2.795  -1.480   1.375  0.00  0.00    +0.054 C 
ATOM     14  O   LIG    1       -4.190   2.612  -2.965  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -3.162   0.258  -0.403  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1       -1.809  -2.060   0.356  0.00  0.00    +0.113 C 
ATOM     17  O   LIG    1        0.934  -2.078   0.384  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        1.215   0.152  -0.500  0.00  0.00    +0.131 C 
BRANCH  18  21
ATOM     19  C   LIG    1        4.750   0.472   0.925  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        3.367   0.601   0.756  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        2.710   0.002  -0.329  0.00  0.00    -0.035 A 
ATOM     22  C   LIG    1        3.461  -0.743  -1.245  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.840  -0.876  -1.082  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.484  -0.268  -0.001  0.00  0.00    +0.045 A 
BRANCH  19  26
ATOM     25  C   LIG    1        6.645   0.964   2.272  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.253   1.115   2.023  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 3