REMARK  Name = BDB063278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.302   0.170   1.274  0.00  0.00    +0.089 C 
ATOM      2  N   LIG    1        1.748  -0.020  -0.127  0.00  0.00    -0.304 N 
ATOM      3  C   LIG    1        0.759   0.233  -1.183  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -0.672  -0.094  -0.704  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1       -1.109   0.696   0.465  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1        0.032   1.072   1.323  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        3.092  -0.016  -0.383  0.00  0.00    +0.162 A 
ATOM      8  S   LIG    1        3.768   0.051  -1.978  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        5.359   0.000  -1.340  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        5.281  -0.070   0.047  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        6.477  -0.126   0.790  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.711  -0.108   0.130  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        7.779  -0.030  -1.266  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1        6.590   0.019  -2.018  0.00  0.00    +0.029 A 
ATOM     15  N   LIG    1        4.002  -0.077   0.567  0.00  0.00    -0.225 NA
BRANCH  13  16
ATOM     16  C   LIG    1        9.112  -0.027  -1.978  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1       10.163   0.255  -1.160  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        9.395  -1.230  -2.550  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        9.168   0.889  -2.984  0.00  0.00    -0.166 F 
ENDBRANCH  13  16
ENDBRANCH   2   7
BRANCH   1  21
ATOM     20  C   LIG    1        0.802  -1.130   3.423  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1        1.132  -1.210   1.940  0.00  0.00    +0.020 C 
ENDBRANCH   1  21
BRANCH   5  22
ATOM     22  C   LIG    1       -2.182   0.031   1.215  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.459  -0.124   0.415  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1       -4.159   1.009  -0.027  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.341   0.882  -0.768  0.00  0.00    -0.036 A 
ATOM     26  C   LIG    1       -5.833  -0.400  -1.051  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.157  -1.543  -0.607  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1       -5.676  -2.909  -0.947  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -3.964  -1.397   0.113  0.00  0.00    +0.008 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -6.084   2.110  -1.236  0.00  0.00    +0.155 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -7.076   2.645  -0.232  0.00  0.00    +0.309 C 
ATOM     32  O   LIG    1       -7.335   2.225   0.882  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -7.723   3.734  -0.704  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -8.325   3.979   0.031  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 8