REMARK  Name = BDB022963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.319   2.328   0.953  0.00  0.00    +0.014 C 
ATOM      2  C   LIG    1        0.505   0.924   1.539  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        1.728   0.259   0.950  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1        1.658  -0.835   0.095  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1        2.767  -1.428  -0.404  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1        3.959  -0.902  -0.098  0.00  0.00    +0.216 A 
ATOM      7  N   LIG    1        4.118   0.146   0.717  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.308  -1.485  -0.192  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        0.264  -2.307  -1.485  0.00  0.00    +0.035 C 
ATOM     10  N   LIG    1       -0.811  -0.536   0.018  0.00  0.00    -0.292 N 
ATOM     11  C   LIG    1       -1.362   0.163  -1.060  0.00  0.00    +0.220 C 
ATOM     12  O   LIG    1       -0.894   0.092  -2.195  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        3.003   0.706   1.219  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1       -0.767   0.060   1.357  0.00  0.00    +0.116 C 
ENDROOT
BRANCH  11  15
ATOM     15  C   LIG    1       -2.630   0.996  -0.790  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.798   0.060  -0.391  0.00  0.00    +0.045 C 
ATOM     17  C   LIG    1       -4.495  -0.561  -1.626  0.00  0.00    +0.093 C 
ATOM     18  N   LIG    1       -4.838   0.413  -2.674  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -5.513  -0.253  -3.789  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -3.640   1.113  -3.147  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.975   1.879  -2.004  0.00  0.00    +0.029 C 
BRANCH  16  22
ATOM     22  C   LIG    1       -4.752   0.729   0.598  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.698   1.685   0.206  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.540   2.287   1.144  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.452   1.942   2.490  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.521   0.991   2.899  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.678   0.390   1.961  0.00  0.00    +0.004 A 
ENDBRANCH  16  22
ENDBRANCH  11  15
BRANCH   6  28
ATOM     28  N   LIG    1        5.042  -1.536  -0.670  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        4.703  -2.425  -1.020  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.338  -1.571  -0.002  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.269  -2.121   1.422  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        7.662  -2.187   2.042  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        8.566  -1.199   1.545  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        7.916   0.011   1.164  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        7.079  -0.230  -0.083  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH   6  28
TORSDOF 4