REMARK  Name = BDB018102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.342  -0.621   0.656  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        2.245  -1.484   1.294  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        0.951  -0.697   1.455  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.515  -0.084   0.200  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -0.855   0.139   0.047  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.671  -0.212   0.902  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.530   0.683  -0.524  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        2.837  -0.085  -0.686  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        4.618  -1.434   0.451  0.00  0.00    +0.168 C 
ATOM     10  O   LIG    1        4.592  -2.659   0.347  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  C   LIG    1        8.453   0.334   0.127  0.00  0.00    +0.214 A 
ATOM     12  N   LIG    1        8.329  -1.005   0.028  0.00  0.00    -0.221 NA
ATOM     13  C   LIG    1        7.074  -1.511   0.142  0.00  0.00    +0.126 A 
ATOM     14  C   LIG    1        5.933  -0.741   0.349  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1        6.101   0.642   0.448  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        7.381   1.187   0.335  0.00  0.00    +0.068 A 
BRANCH  11  18
ATOM     17  C   LIG    1       10.744  -0.013  -0.191  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        9.694   0.926   0.020  0.00  0.00    -0.480 OA
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1       -1.303   0.852  -1.228  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.838   0.897  -1.487  0.00  0.00    -0.020 C 
ATOM     21  C   LIG    1       -3.369  -0.530  -1.740  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -3.048   1.684  -2.805  0.00  0.00    +0.012 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.579   1.672  -0.354  0.00  0.00    +0.081 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.695   0.923   0.347  0.00  0.00    +0.113 A 
ATOM     25  N   LIG    1       -4.291   0.017   1.316  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -3.297  -0.161   1.457  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -5.158  -0.775   2.044  0.00  0.00    +0.262 A 
ATOM     28  O   LIG    1       -4.794  -1.600   2.873  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.528  -0.523   1.709  0.00  0.00    +0.103 A 
ATOM     30  C   LIG    1       -7.763  -1.022   2.136  0.00  0.00    +0.150 A 
ATOM     31  N   LIG    1       -8.786  -0.448   1.488  0.00  0.00    -0.177 NA
ATOM     32  N   LIG    1       -8.180   0.422   0.640  0.00  0.00    -0.249 N 
ATOM     33  C   LIG    1       -8.982   1.226  -0.246  0.00  0.00    +0.174 C 
ATOM     34  C   LIG    1       -6.816   0.406   0.740  0.00  0.00    +0.165 A 
ATOM     35  N   LIG    1       -5.938   1.153   0.025  0.00  0.00    -0.215 NA
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7