REMARK  Name = BDB001690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.035  -1.054  -1.918  0.00  0.00    -0.321 N 
ATOM      2  C   LIG    1        0.240   0.324  -1.428  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.333   0.360  -0.337  0.00  0.00    +0.124 C 
ATOM      4  N   LIG    1        2.592  -0.270  -0.827  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1        2.386  -1.634  -1.382  0.00  0.00    +0.124 C 
ATOM      6  C   LIG    1        1.288  -1.612  -2.465  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.695  -0.063   0.016  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        4.136   1.250   0.265  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        5.237   1.520   1.086  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        5.927   0.460   1.674  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1        5.525  -0.857   1.438  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        4.421  -1.107   0.611  0.00  0.00    +0.025 A 
BRANCH  10  13
ATOM     13  N   LIG    1        7.082   0.728   2.537  0.00  0.00    +0.056 N 
ATOM     14  O   LIG    1        7.395   1.912   2.732  0.00  0.00    -0.126 OA
ATOM     15  O   LIG    1        7.677  -0.244   3.025  0.00  0.00    -0.126 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  C   LIG    1       -1.050  -1.855  -1.523  0.00  0.00    +0.082 C 
ATOM     17  S   LIG    1       -1.136  -3.530  -1.703  0.00  0.00    -0.035 S 
BRANCH  16  21
ATOM     18  C   LIG    1       -4.422   0.237   0.207  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -3.526  -0.511   0.998  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -2.433  -1.196   0.450  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -2.215  -1.153  -0.924  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -3.086  -0.443  -1.746  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.173   0.236  -1.180  0.00  0.00    +0.024 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.587   1.099   2.209  0.00  0.00    +0.129 C 
ATOM     25  N   LIG    1       -5.518   0.906   0.762  0.00  0.00    -0.336 N 
ATOM     26  C   LIG    1       -6.250   1.880  -0.045  0.00  0.00    +0.129 C 
ENDBRANCH  18  25
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 5