REMARK  Name = BDB042580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.759  -0.242  -1.210  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.456   0.147  -2.033  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.706  -0.070  -1.458  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.935  -0.939  -0.302  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        3.061  -0.406   0.588  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        4.269   0.004  -0.216  0.00  0.00    -0.040 C 
ATOM      7  C   LIG    1        4.144   0.269  -1.530  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        2.861   0.199  -2.308  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1        0.333   0.642  -3.154  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.564   0.128   0.483  0.00  0.00    -0.004 A 
ATOM     11  C   LIG    1        5.656   0.656   1.771  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1        6.807   0.778   2.479  0.00  0.00    -0.244 NA
ATOM     13  C   LIG    1        7.942   0.351   1.876  0.00  0.00    +0.140 A 
ATOM     14  C   LIG    1        7.965  -0.195   0.600  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        6.761  -0.308  -0.098  0.00  0.00    +0.012 A 
BRANCH  13  16
ATOM     16  C   LIG    1        9.153   0.487   2.638  0.00  0.00    +0.119 C 
ATOM     17  N   LIG    1       10.156   0.578   3.219  0.00  0.00    -0.189 NA
ENDBRANCH  13  16
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -2.064   0.139  -1.912  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -5.710   2.765   0.950  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -5.992   1.287   1.014  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -5.189   0.335   0.347  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1       -5.512  -1.035   0.448  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1       -4.669  -2.032  -0.257  0.00  0.00    +0.259 A 
ATOM     24  N   LIG    1       -3.603  -1.533  -0.974  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -3.060  -2.236  -1.462  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -3.270  -0.205  -1.074  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1       -4.880  -3.238  -0.222  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.612  -1.443   1.200  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1       -6.944  -2.736   1.318  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.402  -0.509   1.858  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -4.017   0.723  -0.456  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -7.096   0.848   1.766  0.00  0.00    +0.007 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 5