REMARK  Name = BDB021044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.901   4.632   0.203  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.311   3.314   0.190  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.439   3.242  -0.311  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -5.123   2.217   0.035  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.453   1.000   0.012  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -3.183   0.819   0.724  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -2.544  -0.472   0.355  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -3.199  -1.450  -0.350  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -2.342  -2.494  -0.543  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.173  -2.247   0.005  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -4.549  -1.315  -0.849  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -1.287  -1.003   0.582  0.00  0.00    +0.097 A 
ATOM     13  C   LIG    1       -5.284  -0.201  -0.114  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -6.341   2.315  -0.082  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1       -0.191  -0.362   1.284  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.078  -0.177   0.666  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.115   0.453   1.391  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        3.364   0.651   0.787  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        3.576   0.234  -0.525  0.00  0.00    +0.045 A 
ATOM     20  N   LIG    1        2.605  -0.366  -1.244  0.00  0.00    -0.259 NA
ATOM     21  C   LIG    1        1.887   0.878   2.710  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        0.646   0.687   3.313  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        1.403  -0.563  -0.643  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -0.377   0.072   2.602  0.00  0.00    +0.133 A 
ATOM     25  F   LIG    1       -1.556  -0.095   3.220  0.00  0.00    -0.205 F 
BRANCH  19  26
ATOM     26  C   LIG    1        4.907   0.422  -1.221  0.00  0.00    +0.042 C 
ATOM     27  C   LIG    1        5.254   1.905  -1.433  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1        6.761   2.137  -1.457  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1        7.419   1.038  -2.073  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1        7.350  -0.161  -1.300  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1        6.050  -0.308  -0.511  0.00  0.00    +0.038 C 
ENDBRANCH  19  26
ENDBRANCH  12  15
BRANCH   9  32
ATOM     32  C   LIG    1       -2.658  -3.800  -1.325  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -3.503  -4.859  -0.666  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -2.034  -5.091  -0.865  0.00  0.00    +0.012 C 
ENDBRANCH   9  32
TORSDOF 3