REMARK  Name = BDB059181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.703   1.245  -1.681  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -2.547   0.206  -1.713  0.00  0.00    -0.206 NA
ATOM      3  C   LIG    1       -2.220  -0.919  -1.046  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1       -1.038  -0.989  -0.311  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1       -0.208   0.124  -0.353  0.00  0.00    +0.095 A 
ATOM      6  N   LIG    1       -0.531   1.241  -1.042  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.137  -1.978  -1.086  0.00  0.00    -0.310 N 
ATOM      8  C   LIG    1       -2.648  -3.268  -1.632  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1       -3.507  -3.739  -2.818  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1       -4.898  -3.878  -2.498  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -5.370  -2.885  -1.572  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -4.501  -1.619  -1.533  0.00  0.00    +0.134 C 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  C   LIG    1        1.079   0.239   0.360  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.119  -0.682   0.161  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1        3.328  -0.560   0.850  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        3.539   0.534   1.698  0.00  0.00    +0.204 A 
ATOM     17  C   LIG    1        2.516   1.469   1.919  0.00  0.00    +0.166 A 
ATOM     18  C   LIG    1        1.299   1.315   1.245  0.00  0.00    +0.059 A 
BRANCH  15  19
ATOM     19  O   LIG    1        4.260  -1.526   0.575  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1        4.808  -2.128   1.748  0.00  0.00    +0.277 C 
ENDBRANCH  15  19
BRANCH  16  21
ATOM     21  O   LIG    1        4.743   0.685   2.344  0.00  0.00    -0.488 OA
ATOM     22  C   LIG    1        5.620   1.482   1.547  0.00  0.00    +0.277 C 
ENDBRANCH  16  21
BRANCH  17  23
ATOM     23  O   LIG    1        2.806   2.492   2.785  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1        1.763   3.408   3.092  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH   5  13
BRANCH   4  25
ATOM     25  C   LIG    1       -0.726  -2.116   0.510  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1       -0.449  -3.040   1.156  0.00  0.00    -0.191 NA
ENDBRANCH   4  25
BRANCH   1  27
ATOM     27  S   LIG    1       -2.186   2.689  -2.585  0.00  0.00    -0.073 S 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.286   3.964  -1.654  0.00  0.00    +0.165 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -2.255   4.336   0.808  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -1.820   4.168  -0.299  0.00  0.00    -0.094 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9