REMARK  Name = BDB059261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.763   1.350  -0.587  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.993   0.809  -0.263  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        2.769   1.235  -0.764  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.696   2.320  -1.338  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -1.795  -0.906   3.119  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -1.738  -0.317   1.739  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -2.863  -0.357   0.903  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -2.815   0.179  -0.395  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -1.619   0.736  -0.864  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -0.479   0.742  -0.047  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -0.546   0.233   1.254  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -3.984   0.145  -1.208  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -5.134  -0.415  -0.753  0.00  0.00    -0.172 NA
ATOM     14  C   LIG    1       -6.011  -0.280  -1.752  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -7.396  -0.787  -1.600  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1       -5.440   0.366  -2.863  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1       -4.144   0.628  -2.490  0.00  0.00    +0.115 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  N   LIG    1        2.129  -0.646   0.081  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.060  -1.337  -0.675  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.224  -1.118   1.293  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        2.796  -0.493   2.528  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.398  -2.549   1.189  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.730  -0.356   0.795  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        5.235  -0.633  -0.469  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        4.577  -1.438  -1.314  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        6.423  -0.046  -0.892  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        7.108   0.822  -0.040  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.601   1.102   1.231  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.408   0.514   1.655  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5