REMARK  Name = BDB002775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.679  -0.076  -0.055  0.00  0.00    +0.134 C 
ATOM      2  S   LIG    1        0.034  -0.817   1.281  0.00  0.00    -0.019 S 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -0.444  -0.527  -1.341  0.00  0.00    -0.318 N 
ATOM      4  H   LIG    1       -0.408   0.201  -2.041  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1        0.386  -1.669  -1.729  0.00  0.00    +0.199 C 
BRANCH   5   7
ATOM      6  O   LIG    1        2.133  -0.445  -2.860  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1        1.826  -1.195  -1.936  0.00  0.00    +0.230 C 
ATOM      8  N   LIG    1        2.708  -1.615  -0.961  0.00  0.00    -0.314 N 
ATOM      9  H   LIG    1        2.279  -1.833  -0.065  0.00  0.00    +0.149 HD
BRANCH   8  10
ATOM     10  C   LIG    1        4.058  -1.082  -0.922  0.00  0.00    +0.109 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.957  -1.896   0.007  0.00  0.00    +0.054 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.351  -1.329   0.081  0.00  0.00    -0.046 A 
ATOM     13  C   LIG    1        7.331  -1.732  -0.836  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        8.617  -1.193  -0.778  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        8.934  -0.244   0.192  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.965   0.168   1.105  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.678  -0.370   1.049  0.00  0.00    +0.004 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   5   7
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  N   LIG    1       -1.568   1.012   0.015  0.00  0.00    -0.304 N 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.416   1.457  -1.116  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.786   0.825  -1.163  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.912   1.628  -1.372  0.00  0.00    +0.128 A 
ATOM     22  F   LIG    1       -4.770   2.955  -1.515  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -6.193   1.087  -1.440  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -6.368  -0.288  -1.310  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -5.259  -1.111  -1.120  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.976  -0.560  -1.053  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
BRANCH  18  27
ATOM     27  C   LIG    1       -1.755   1.792   1.260  0.00  0.00    +0.142 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.120   1.656   1.895  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -3.990   2.756   1.948  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.254   2.636   2.529  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.662   1.418   3.067  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.806   0.321   3.028  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.542   0.439   2.449  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 11