REMARK  Name = BDB063495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.065  -0.853   0.208  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.567  -1.662  -0.814  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -0.800  -1.960  -0.878  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -1.681  -1.461   0.077  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -3.115  -1.824  -0.066  0.00  0.00    +0.074 A 
ATOM      6  N   LIG    1       -3.558  -2.580  -1.029  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -2.669  -3.053  -1.943  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -3.047  -3.637  -2.683  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1       -1.182  -0.657   1.107  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.319  -2.807  -1.962  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -0.580  -3.261  -2.828  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1        0.186  -0.354   1.170  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        2.412  -0.634   0.157  0.00  0.00    -0.486 OA
BRANCH  13  14
ATOM     14  C   LIG    1        2.962   0.277   1.103  0.00  0.00    +0.284 C 
BRANCH  14  20
ATOM     15  C   LIG    1        4.178   1.246  -1.578  0.00  0.00    +0.152 C 
ATOM     16  N   LIG    1        4.936   0.804  -0.429  0.00  0.00    -0.309 N 
ATOM     17  C   LIG    1        6.303   0.731  -0.311  0.00  0.00    +0.291 A 
ATOM     18  N   LIG    1        6.679   0.349   0.894  0.00  0.00    -0.215 NA
ATOM     19  C   LIG    1        5.514   0.121   1.572  0.00  0.00    +0.139 A 
ATOM     20  C   LIG    1        4.412   0.388   0.783  0.00  0.00    +0.077 A 
BRANCH  17  21
ATOM     21  N   LIG    1        7.236   1.033  -1.365  0.00  0.00    +0.093 N 
ATOM     22  O   LIG    1        8.391   1.330  -1.034  0.00  0.00    -0.123 OA
ATOM     23  O   LIG    1        6.816   0.983  -2.530  0.00  0.00    -0.123 OA
ENDBRANCH  17  21
ENDBRANCH  14  20
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  C   LIG    1       -4.139  -1.304   0.935  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.466   0.163   0.767  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -4.741   0.703  -0.497  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.058   2.055  -0.637  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.120   2.879   0.484  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.872   2.349   1.749  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.554   0.997   1.891  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 6