REMARK  Name = BDB063318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.931  -1.168  -0.149  0.00  0.00    +0.226 C 
ATOM      2  N   LIG    1       -0.277  -0.074  -0.680  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.192  -0.020  -0.644  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        1.545   1.425  -1.015  0.00  0.00    +0.070 C 
ATOM      5  C   LIG    1        0.241   2.189  -0.850  0.00  0.00    +0.186 C 
ATOM      6  F   LIG    1        0.209   3.248  -1.689  0.00  0.00    -0.244 F 
ATOM      7  C   LIG    1       -0.820   1.165  -1.207  0.00  0.00    +0.145 C 
ATOM      8  O   LIG    1       -0.267  -2.033   0.436  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1        1.790  -0.978  -1.690  0.00  0.00    +0.239 C 
ATOM     10  N   LIG    1        3.112  -1.285  -1.736  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        3.333  -1.857  -2.542  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        1.086  -1.437  -2.601  0.00  0.00    -0.273 OA
BRANCH  10  13
ATOM     13  C   LIG    1        4.254  -1.030  -0.979  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1        5.357  -1.513  -1.586  0.00  0.00    -0.229 NA
ATOM     15  C   LIG    1        6.527  -1.319  -0.939  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.623  -0.671   0.280  0.00  0.00    +0.084 A 
ATOM     17  N   LIG    1        7.955  -0.684   0.592  0.00  0.00    -0.275 N 
ATOM     18  H   LIG    1        8.404  -0.302   1.417  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1        8.730  -1.284  -0.333  0.00  0.00    -0.180 NA
ATOM     20  C   LIG    1        5.496  -0.176   0.922  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        7.851  -1.673  -1.265  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1        4.283  -0.378   0.250  0.00  0.00    +0.046 A 
ENDBRANCH  10  13
ENDBRANCH   3   9
BRANCH   1  23
ATOM     23  C   LIG    1       -2.478  -1.298  -0.270  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -2.896  -2.686   0.283  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -2.850  -1.300  -1.769  0.00  0.00    +0.025 C 
BRANCH  23  29
ATOM     26  C   LIG    1       -4.537   1.667   2.200  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1       -3.404   1.004   2.669  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -2.753   0.054   1.877  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -3.213  -0.249   0.582  0.00  0.00    -0.033 A 
ATOM     30  C   LIG    1       -4.368   0.411   0.132  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -5.019   1.363   0.930  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -6.249   3.252   2.651  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -5.073   2.572   3.072  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH   1  23
TORSDOF 5