REMARK  Name = BDB017831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.126  -2.436   0.844  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.291  -2.369   0.342  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.703  -3.611  -0.148  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -1.985  -3.799  -0.632  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.865  -2.710  -0.633  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.470  -1.450  -0.135  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.387  -4.628  -0.010  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.168  -1.292   0.367  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        1.617  -3.729   0.160  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.371  -0.305  -0.127  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -2.934   0.992   0.139  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -4.017   1.718   0.060  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -4.375   3.141   0.205  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -5.793   3.168  -0.423  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -6.327   1.725  -0.333  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -5.104   0.960  -0.233  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -4.740  -0.328  -0.366  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1        3.179  -1.096   0.964  0.00  0.00    +0.245 C 
ATOM     19  N   LIG    1        1.910  -1.284   0.463  0.00  0.00    -0.305 N 
ATOM     20  H   LIG    1        1.426  -0.512   0.027  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1        3.735  -1.894   1.710  0.00  0.00    -0.270 OA
BRANCH  18  26
ATOM     22  C   LIG    1        5.932   3.819  -0.425  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1        5.210   2.550  -0.077  0.00  0.00    -0.009 A 
ATOM     24  C   LIG    1        4.254   2.006  -0.942  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        3.581   0.824  -0.630  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1        3.862   0.170   0.576  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.831   0.692   1.440  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.498   1.876   1.117  0.00  0.00    +0.007 A 
BRANCH  24  29
ATOM     29  O   LIG    1        3.993   2.658  -2.115  0.00  0.00    -0.506 OA
ATOM     30  H   LIG    1        3.319   2.167  -2.613  0.00  0.00    +0.292 HD
ENDBRANCH  24  29
ENDBRANCH  18  26
ENDBRANCH   1  19
TORSDOF 4