REMARK  Name = BDB058880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.268  -2.041   1.391  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.553  -0.851   1.352  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.619  -0.269   2.015  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.802   0.728   1.988  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.280   0.079   0.548  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.665  -0.136   0.496  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -2.512   0.700  -0.258  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -1.917   1.758  -0.964  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.538   1.955  -0.920  0.00  0.00    +0.125 A 
ATOM     10  F   LIG    1        0.002   2.966  -1.613  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        0.290   1.127  -0.176  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -3.969   0.467  -0.282  0.00  0.00    +0.071 A 
ATOM     13  N   LIG    1       -4.506   0.027   0.884  0.00  0.00    -0.255 NA
ATOM     14  C   LIG    1       -5.837  -0.205   0.920  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -6.680  -0.018  -0.161  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.124   0.430  -1.351  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.754   0.675  -1.416  0.00  0.00    +0.028 A 
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1        2.578  -1.140   2.781  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.923  -0.755   3.665  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.864  -1.904   1.952  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.509  -3.274   1.662  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        5.055  -1.579   2.712  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.960  -1.011   0.417  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        3.270  -1.490  -0.700  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        3.340  -0.789  -1.903  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.105   0.376  -1.988  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.809   0.840  -0.875  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.744   0.144   0.333  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5