REMARK  Name = BDB040850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.501  -0.866  -0.524  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.577   0.297  -0.431  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.102  -0.157  -0.531  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.311  -1.063   0.566  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.818  -1.914   1.013  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.913  -2.142  -0.053  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.381   0.180   0.621  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.694  -0.632   1.453  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.439  -0.961   1.075  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.764  -1.736   1.940  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.804  -0.533  -0.107  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.565   0.315  -0.925  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.862   0.678  -0.568  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.115   0.753   0.359  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.724   0.556   0.035  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.508   0.083  -0.833  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.772   0.541   1.045  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.035   0.790   2.216  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.488  -1.869   0.211  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.736  -1.044  -0.005  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.454  -0.556   1.098  0.00  0.00    +0.151 A 
ATOM     22  F   LIG    1       -3.050  -0.845   2.345  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.594   0.221   0.921  0.00  0.00    +0.094 A 
ATOM     24  N   LIG    1       -5.366   0.766   1.947  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1       -5.090   0.615   2.910  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1       -6.483   1.542   1.717  0.00  0.00    +0.240 C 
ATOM     27  C   LIG    1       -6.962   1.798   0.261  0.00  0.00    +0.170 C 
ATOM     28  N   LIG    1       -6.076   1.219  -0.747  0.00  0.00    -0.333 N 
ATOM     29  C   LIG    1       -6.126   1.303  -2.109  0.00  0.00    +0.088 A 
ATOM     30  C   LIG    1       -5.060   0.570  -2.607  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -4.328   0.046  -1.503  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -8.390   1.281   0.108  0.00  0.00    +0.041 C 
ATOM     33  O   LIG    1       -7.094   2.013   2.680  0.00  0.00    -0.273 OA
ATOM     34  C   LIG    1       -4.989   0.486  -0.373  0.00  0.00    +0.074 A 
ATOM     35  C   LIG    1       -3.175  -0.742  -1.321  0.00  0.00    +0.017 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4