REMARK  Name = BDB014353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.940   0.215  -0.501  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.162  -0.816  -1.415  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.245  -1.685  -1.264  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.132  -1.531  -0.193  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -2.902  -0.499   0.726  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.815   0.369   0.573  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.153   0.991  -0.769  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.444   2.050   0.149  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.701   2.778  -0.320  0.00  0.00    +0.096 C 
BRANCH   9  13
ATOM     10  C   LIG    1        5.223   0.615   0.733  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1        4.686   1.638   1.505  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1        3.573   2.335   1.180  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        2.950   2.006   0.023  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        3.407   0.988  -0.809  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        4.555   0.287  -0.447  0.00  0.00    +0.007 A 
BRANCH  10  17
ATOM     16  C   LIG    1        6.109  -1.339   2.025  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        6.452  -0.129   1.170  0.00  0.00    +0.033 C 
ENDBRANCH  10  17
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -4.320  -2.453  -0.033  0.00  0.00    +0.059 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.628  -1.985  -0.680  0.00  0.00    +0.146 C 
ATOM     20  C   LIG    1       -6.075  -0.631  -0.172  0.00  0.00    +0.234 C 
ATOM     21  O   LIG    1       -6.285  -0.362   1.004  0.00  0.00    -0.274 OA
ATOM     22  N   LIG    1       -6.235   0.267  -1.182  0.00  0.00    -0.246 N 
ATOM     23  H   LIG    1       -6.516   1.216  -0.994  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -6.006  -0.132  -2.455  0.00  0.00    +0.279 C 
ATOM     25  O   LIG    1       -6.113   0.568  -3.446  0.00  0.00    -0.263 OA
ATOM     26  S   LIG    1       -5.556  -1.817  -2.497  0.00  0.00    -0.054 S 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 7