REMARK  Name = BDB003988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.269   0.680  -1.389  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        1.440   0.331  -0.640  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.482  -0.160   0.682  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        2.829  -0.433   0.975  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        3.228  -0.948   2.194  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        2.239  -1.188   3.148  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        0.888  -0.913   2.867  0.00  0.00    +0.010 A 
ATOM      8  N   LIG    1        3.601  -0.103  -0.151  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1        0.484  -0.390   1.624  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        2.741   0.337  -1.176  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1        3.072   0.656  -2.308  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        5.032  -0.312  -0.311  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1        5.233  -1.582  -1.161  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        4.448  -2.535  -1.126  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        6.396  -1.752  -1.868  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        6.386  -2.740  -2.102  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        7.604  -1.432  -1.310  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        8.334  -2.285  -0.819  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        8.008   0.017  -1.436  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1        7.217   0.959  -0.549  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1        5.721   0.948  -0.849  0.00  0.00    +0.035 C 
ENDBRANCH   8  12
BRANCH   9  22
ATOM     22  C   LIG    1       -0.947  -0.150   1.413  0.00  0.00    -0.039 C 
ATOM     23  C   LIG    1       -1.524   1.136   1.937  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1       -3.045   1.050   2.077  0.00  0.00    +0.116 C 
ATOM     25  N   LIG    1       -3.663   0.410   0.921  0.00  0.00    -0.263 N 
ATOM     26  C   LIG    1       -4.913   0.851   0.513  0.00  0.00    +0.404 C 
ATOM     27  O   LIG    1       -5.452   1.860   0.947  0.00  0.00    -0.226 OA
ATOM     28  C   LIG    1       -3.185  -0.917   0.555  0.00  0.00    +0.138 C 
ATOM     29  C   LIG    1       -1.717  -1.079   0.820  0.00  0.00    -0.004 C 
BRANCH  26  30
ATOM     30  O   LIG    1       -5.463   0.030  -0.419  0.00  0.00    -0.445 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -6.767   0.311  -0.991  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -7.865   0.270   0.078  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -7.009  -0.835  -1.985  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1       -6.766   1.635  -1.763  0.00  0.00    +0.055 C 
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH   9  22
TORSDOF 4