REMARK  Name = BDB033521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.442   1.638   1.280  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        1.915   0.623   0.424  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        2.545   0.920  -0.787  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.732   2.263  -1.124  0.00  0.00    +0.145 A 
ATOM      5  F   LIG    1        3.338   2.578  -2.281  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1        2.317   3.286  -0.283  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        1.687   2.970   0.922  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        3.021  -0.043  -1.704  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        3.471   0.345  -2.527  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        2.945  -1.421  -1.604  0.00  0.00    +0.218 C 
ATOM     11  O   LIG    1        2.407  -2.050  -0.699  0.00  0.00    -0.275 OA
BRANCH  10  12
ATOM     12  C   LIG    1        3.563  -2.108  -2.812  0.00  0.00    +0.101 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.901  -3.575  -2.555  0.00  0.00    +0.045 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.172  -3.747  -1.769  0.00  0.00    -0.040 A 
ATOM     15  C   LIG    1        5.245  -3.781  -0.388  0.00  0.00    +0.048 A 
ATOM     16  S   LIG    1        6.842  -3.981   0.188  0.00  0.00    -0.105 S 
ATOM     17  C   LIG    1        7.465  -4.033  -1.401  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        6.475  -3.898  -2.349  0.00  0.00    +0.011 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  N   LIG    1        0.872   1.266   2.503  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1        0.590   0.287   2.492  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -0.151   2.092   3.137  0.00  0.00    +0.136 C 
BRANCH  21  25
ATOM     22  C   LIG    1       -4.031   1.324   1.349  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1       -3.247   2.403   0.920  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -1.999   2.656   1.500  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -1.509   1.835   2.523  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -2.287   0.749   2.945  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -3.535   0.498   2.366  0.00  0.00    +0.009 A 
BRANCH  22  32
ATOM     28  C   LIG    1       -8.734  -0.097   0.613  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -7.407   0.439   0.432  0.00  0.00    -0.274 N 
ATOM     30  N   LIG    1       -7.072   0.990  -0.748  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.805   1.372  -0.562  0.00  0.00    +0.142 A 
ATOM     32  C   LIG    1       -5.323   1.071   0.733  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -6.399   0.465   1.351  0.00  0.00    +0.116 A 
ENDBRANCH  22  32
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8