REMARK  Name = BDB018950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.133  -2.155   0.651  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1        1.075  -1.458   0.413  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.253  -1.760   1.120  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.451  -1.081   0.834  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.503  -0.075  -0.140  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.345   0.238  -0.865  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.265  -2.822   2.186  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.865  -3.072   2.716  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.152  -0.454  -0.570  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.081  -3.315   1.550  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -3.512   1.313   0.155  0.00  0.00    +0.080 A 
ATOM     12  C   LIG    1       -2.975  -0.005   0.117  0.00  0.00    +0.103 A 
ATOM     13  C   LIG    1       -3.959  -0.879  -0.360  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.688  -2.251  -0.501  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1       -2.384  -2.632  -0.142  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1       -1.439  -1.711   0.323  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1       -4.651  -3.281  -1.008  0.00  0.00    +0.046 C 
ATOM     18  N   LIG    1       -5.072  -0.102  -0.611  0.00  0.00    -0.348 N 
ATOM     19  C   LIG    1       -6.346  -0.568  -1.110  0.00  0.00    +0.149 C 
ATOM     20  N   LIG    1       -1.728  -0.408   0.444  0.00  0.00    -0.229 NA
ATOM     21  C   LIG    1       -4.812   1.213  -0.316  0.00  0.00    +0.101 A 
BRANCH  11  25
ATOM     22  C   LIG    1       -2.620   4.932   0.203  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1       -3.292   3.679  -0.021  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1       -3.814   3.561  -0.876  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -2.850   2.529   0.611  0.00  0.00    +0.247 C 
ATOM     26  O   LIG    1       -1.981   2.547   1.475  0.00  0.00    -0.270 OA
ENDBRANCH  11  25
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1        4.769   0.591  -0.366  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        4.988   1.939  -0.184  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        6.305   2.150  -0.470  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        7.013   3.406  -0.424  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        6.965   1.029  -0.819  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.030   0.078  -0.738  0.00  0.00    +0.142 A 
ENDBRANCH   5  27
BRANCH   6  33
ATOM     33  C   LIG    1        2.331   1.287  -1.948  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1        1.267   1.178  -2.799  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        2.275   2.559  -1.461  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4