REMARK  Name = BDB034051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.245   1.344  -1.863  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.299   2.125  -3.964  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.415   1.801  -2.626  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -2.289   1.331  -2.382  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -0.223   2.240  -4.540  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -2.506   2.773  -6.080  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -2.644   2.322  -4.637  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.401   1.724  -0.381  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1        0.769   1.293   0.451  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1        0.519   0.474   1.941  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        2.222   0.369   2.172  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        2.863   0.974   1.092  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        4.269   1.010   1.075  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        4.995   0.442   2.130  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        4.345  -0.167   3.211  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1        2.939  -0.205   3.237  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1        2.025   1.489   0.116  0.00  0.00    -0.244 NA
BRANCH  15  18
ATOM     18  C   LIG    1        5.126  -0.770   4.368  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        6.098  -1.857   3.900  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        5.862   0.313   5.162  0.00  0.00    +0.012 C 
ENDBRANCH  15  18
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1       -0.003  -0.171  -2.100  0.00  0.00    +0.126 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -0.843  -1.081  -1.323  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1       -0.372  -1.887  -0.929  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -2.214  -1.157  -1.448  0.00  0.00    +0.230 C 
ATOM     25  O   LIG    1       -2.877  -0.364  -2.118  0.00  0.00    -0.274 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -2.866  -2.314  -0.646  0.00  0.00    +0.140 C 
ATOM     27  N   LIG    1       -4.228  -2.575  -1.167  0.00  0.00    -0.306 NA
ATOM     28  H   LIG    1       -4.358  -1.972  -1.989  0.00  0.00    +0.123 HD
ATOM     29  C   LIG    1       -5.294  -2.279  -0.209  0.00  0.00    +0.081 C 
ATOM     30  C   LIG    1       -5.086  -0.943   0.495  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -3.762  -0.893   1.259  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1       -2.814  -2.023   0.858  0.00  0.00    +0.028 C 
ENDBRANCH  24  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 8