REMARK  Name = BDB013981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.803  -0.391  -0.284  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.824   0.633   0.333  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.266   1.707   0.764  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.544   0.334   0.316  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.052  -0.912  -0.178  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.452  -2.136   0.187  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.958  -3.343  -0.324  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.057  -3.348  -1.178  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.662  -2.147  -1.529  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.692  -2.184   1.165  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.162  -0.941  -1.033  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.984  -1.636   0.580  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.031  -0.141  -1.373  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.086   0.291  -0.475  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.193   1.175   0.013  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.902  -1.188  -2.009  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.310   0.734  -1.462  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.981   2.195  -1.756  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        7.576   0.248  -2.199  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.166   0.216  -2.553  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.883  -0.755  -2.731  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.470   1.437   0.634  0.00  0.00    +0.151 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.638   1.079   1.546  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1       -4.003   1.217   1.121  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1       -5.040   0.795   1.999  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -6.388   0.885   1.614  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -6.750   1.405   0.376  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.766   1.849  -0.490  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.731   0.294   3.266  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1       -3.414   0.226   3.701  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1       -4.419   1.761  -0.122  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -2.378   0.626   2.858  0.00  0.00    +0.046 A 
ATOM     33 CL   LIG    1       -0.787   0.584   3.537  0.00  0.00    -0.083 Cl
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5