REMARK  Name = BDB012199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.994   0.552   0.203  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1       -1.806  -0.339  -1.033  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -0.392  -0.208  -1.583  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1       -0.021   1.176  -1.872  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        1.133   1.537  -2.559  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.408   2.709  -2.819  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.933   2.222  -1.409  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1       -1.385   1.957   0.022  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1       -6.927   1.439   0.180  0.00  0.00    +0.154 C 
ATOM     10  N   LIG    1       -5.622   0.987   0.566  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -5.341   0.183   1.677  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1       -3.965  -0.061   1.696  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -3.390  -0.843   2.677  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -4.237  -1.378   3.655  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.623  -1.125   3.633  0.00  0.00    +0.002 A 
ATOM     16  N   LIG    1       -3.393   0.604   0.597  0.00  0.00    -0.289 N 
ATOM     17  C   LIG    1       -6.192  -0.334   2.631  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -4.426   1.245  -0.131  0.00  0.00    +0.330 A 
ATOM     19  O   LIG    1       -4.303   1.889  -1.161  0.00  0.00    -0.246 OA
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  C   LIG    1        2.038   0.399  -3.019  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.437   0.870  -3.432  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.281   1.374  -2.257  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.643   0.253  -1.312  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1        5.669  -0.560  -1.711  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        6.163  -0.387  -2.575  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        6.103  -1.637  -0.982  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        7.021  -2.354  -1.361  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        5.388  -1.876   0.283  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        4.351  -0.998   0.611  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        3.659  -1.200   1.807  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        3.999  -2.259   2.655  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        5.036  -3.128   2.312  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        5.736  -2.939   1.122  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        3.979   0.074  -0.216  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 5