REMARK  Name = BDB048810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.994  -0.331   0.264  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1        2.295  -0.072  -0.979  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1        1.016   0.540  -0.677  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        0.987   0.633   0.723  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.120   1.174   1.359  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.188   1.636   0.577  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.149   1.551  -0.825  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -0.031   0.995  -1.458  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        2.233   0.071   1.311  0.00  0.00    +0.003 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.547  -0.050   2.701  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1        2.795  -1.258   3.321  0.00  0.00    +0.053 A 
ATOM     12  S   LIG    1        3.142  -1.068   4.987  0.00  0.00    -0.104 S 
ATOM     13  C   LIG    1        2.951   0.629   4.890  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        2.631   1.042   3.615  0.00  0.00    +0.016 A 
ENDBRANCH   9  10
BRANCH   2  15
ATOM     15  N   LIG    1        2.785  -0.317  -2.301  0.00  0.00    -0.181 N 
ATOM     16  O   LIG    1        1.845  -0.747  -3.287  0.00  0.00    -0.173 OA
ATOM     17  C   LIG    1        4.165  -0.042  -2.691  0.00  0.00    +0.191 C 
ENDBRANCH   2  15
BRANCH   1  18
ATOM     18  C   LIG    1        4.309  -0.983   0.351  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1        4.598  -1.993  -0.271  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        5.140  -0.251   1.131  0.00  0.00    -0.462 OA
BRANCH  20  22
ATOM     21  C   LIG    1        7.365  -0.286   0.183  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1        6.464  -0.777   1.300  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   7  23
ATOM     23  O   LIG    1       -2.127   1.966  -1.685  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.343   2.495  -1.160  0.00  0.00    +0.229 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.328   1.394  -0.768  0.00  0.00    +0.046 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.660   0.475  -1.948  0.00  0.00    +0.038 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.656  -0.587  -1.553  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -5.216  -1.812  -1.036  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -6.137  -2.789  -0.652  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.504  -2.547  -0.778  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.952  -1.329  -1.286  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.033  -0.352  -1.671  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 10