REMARK  Name = BDB022194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.040   0.339  -1.686  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        0.484   0.208  -1.969  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        1.112   1.541  -2.456  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        2.078   1.591  -3.219  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1        0.672   2.707  -1.860  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        1.172   3.556  -2.091  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1       -0.504   2.712  -1.154  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -1.085   3.768  -0.519  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -0.581   5.111  -0.374  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -2.291   3.460  -0.006  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -2.487   2.177  -0.347  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -3.782   1.528  -0.018  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -1.358   1.643  -1.025  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -1.738  -2.148   2.701  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -1.975  -2.019   1.225  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -1.441  -0.935   0.515  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -1.625  -0.805  -0.875  0.00  0.00    -0.037 A 
ATOM     18  C   LIG    1       -2.340  -1.813  -1.543  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -2.862  -2.903  -0.846  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -2.677  -3.008   0.531  0.00  0.00    +0.003 A 
ENDBRANCH   1  17
BRANCH   2  21
ATOM     21  N   LIG    1        1.286  -0.196  -0.804  0.00  0.00    -0.299 N 
ATOM     22  H   LIG    1        1.343   0.461  -0.038  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1        2.242  -1.184  -0.900  0.00  0.00    +0.245 C 
ATOM     24  O   LIG    1        2.428  -1.856  -1.907  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.089  -1.392   0.305  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        2.602  -1.172   1.600  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        3.432  -1.381   2.703  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.745  -1.815   2.517  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.229  -2.051   1.231  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.402  -1.845   0.126  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH   2  21
TORSDOF 3