REMARK  Name = BDB017814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.554   2.691  -0.365  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.838   2.276  -0.750  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.346   3.118  -1.745  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.628   2.949  -2.235  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.405   1.908  -1.714  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.916   1.055  -0.701  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.356   4.180  -2.106  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.615   1.255  -0.213  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.946   3.573  -1.567  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.779  -0.003  -0.188  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        5.034  -0.280  -0.730  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        5.486  -1.268  -0.006  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        6.709  -2.089   0.055  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.566  -2.751   1.450  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        5.063  -2.715   1.787  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        4.595  -1.633   0.951  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        3.502  -0.853   0.876  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -2.662   1.704   0.421  0.00  0.00    +0.245 C 
ATOM     19  N   LIG    1       -1.448   1.567  -0.211  0.00  0.00    -0.305 N 
ATOM     20  H   LIG    1       -1.173   0.688  -0.625  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1       -3.027   2.746   0.955  0.00  0.00    -0.270 OA
BRANCH  18  24
ATOM     22  C   LIG    1       -4.333  -1.603  -0.454  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -3.489  -0.491  -0.525  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1       -3.535   0.499   0.462  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -4.450   0.381   1.516  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -5.290  -0.736   1.607  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1       -6.286  -0.843   2.724  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -5.230  -1.722   0.611  0.00  0.00    +0.049 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -5.044  -3.626  -1.485  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -4.187  -2.491  -1.484  0.00  0.00    -0.495 OA
ENDBRANCH  22  30
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 4