REMARK  Name = BDB063604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.260  -2.284   0.536  0.00  0.00    -0.220 N 
ATOM      2  C   LIG    1        2.149  -1.540  -0.193  0.00  0.00    +0.316 C 
ATOM      3  O   LIG    1        2.070  -1.373  -1.402  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        3.123  -1.040   0.688  0.00  0.00    -0.246 N 
ATOM      5  C   LIG    1        2.846  -1.471   2.040  0.00  0.00    +0.211 C 
ATOM      6  C   LIG    1        1.593  -2.294   1.854  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1        0.999  -2.868   2.756  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        4.238  -0.220   0.366  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        4.502   0.199  -0.943  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        5.607   1.008  -1.242  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        6.488   1.418  -0.235  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        6.228   1.013   1.078  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        5.122   0.204   1.372  0.00  0.00    +0.024 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.665   2.307  -0.552  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        8.726   2.099   0.277  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.143   2.135  -1.816  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        7.359   3.629  -0.443  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     18  C   LIG    1        0.094  -2.931  -0.019  0.00  0.00    +0.153 C 
BRANCH  18  24
ATOM     19  C   LIG    1       -3.959  -1.140   2.372  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.070  -1.128   1.157  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -3.328  -0.262   0.074  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -2.468  -0.283  -1.021  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -1.369  -1.149  -1.055  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -1.111  -2.019   0.007  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1       -1.964  -1.994   1.115  0.00  0.00    +0.012 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -4.426   0.532   0.225  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.890   1.504  -0.734  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -3.913   2.668  -0.919  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -5.376   0.865  -2.037  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.149   2.114  -0.070  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -6.843   2.991  -0.566  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.434   1.581   1.146  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -5.759   0.899   1.355  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 8