REMARK  Name = BDB017823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.009  -1.447  -1.068  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        1.387  -1.669  -0.515  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.478  -2.916   0.113  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.644  -3.310   0.742  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.736  -2.435   0.721  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        3.665  -1.176   0.084  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.177  -3.650   0.035  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        2.465  -0.793  -0.535  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.528  -2.893  -1.102  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.836  -0.308   0.099  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        5.968  -0.584   0.864  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        6.782   0.402   0.601  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        8.144   0.810   0.993  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        8.469   1.875  -0.087  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        7.110   2.381  -0.609  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        6.233   1.282  -0.274  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        5.003   0.867  -0.625  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -1.965  -0.060  -0.561  0.00  0.00    +0.218 C 
ATOM     19  N   LIG    1       -0.757  -0.597  -0.180  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1       -0.415  -0.474   0.764  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.423  -0.208  -1.689  0.00  0.00    -0.275 OA
BRANCH  18  25
ATOM     22  C   LIG    1       -6.437   1.241   0.007  0.00  0.00    +0.215 C 
ATOM     23  N   LIG    1       -5.173   0.706   0.260  0.00  0.00    -0.301 N 
ATOM     24  C   LIG    1       -3.929   1.450   0.021  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -2.660   0.747   0.533  0.00  0.00    +0.092 C 
ATOM     26  C   LIG    1       -2.985  -0.103   1.764  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1       -4.079  -1.138   1.494  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -5.051  -0.740   0.386  0.00  0.00    +0.108 C 
ATOM     29  O   LIG    1       -7.459   0.556   0.029  0.00  0.00    -0.276 OA
BRANCH  22  31
ATOM     30  C   LIG    1       -7.909   3.222  -0.551  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -6.495   2.737  -0.272  0.00  0.00    +0.092 C 
ENDBRANCH  22  31
ENDBRANCH  18  25
ENDBRANCH   1  19
TORSDOF 4