REMARK  Name = BDB001692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.286   0.422  -0.864  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1       -1.010   0.455  -0.163  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.923   0.917  -0.450  0.00  0.00    +0.211 A 
ATOM      4  N   LIG    1        1.030   1.197   0.887  0.00  0.00    -0.293 N 
ATOM      5  H   LIG    1        0.270   1.028   1.526  0.00  0.00    +0.172 HD
ATOM      6  C   LIG    1        2.162   1.696   1.456  0.00  0.00    +0.253 A 
ATOM      7  O   LIG    1        2.246   1.945   2.652  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.278   1.925   0.536  0.00  0.00    +0.094 A 
ATOM      9  C   LIG    1        3.098   1.622  -0.758  0.00  0.00    +0.060 A 
ATOM     10  N   LIG    1        1.915   1.129  -1.264  0.00  0.00    -0.218 NA
BRANCH   9  11
ATOM     11  C   LIG    1        4.208   1.849  -1.763  0.00  0.00    +0.132 C 
BRANCH  11  12
ATOM     12  S   LIG    1        4.858   0.278  -2.409  0.00  0.00    -0.091 S 
BRANCH  12  13
ATOM     13  C   LIG    1        5.739  -0.306  -1.020  0.00  0.00    +0.159 A 
ATOM     14  S   LIG    1        6.094  -1.963  -0.771  0.00  0.00    -0.044 S 
ATOM     15  C   LIG    1        6.876  -1.495   0.686  0.00  0.00    +0.100 A 
ATOM     16  C   LIG    1        7.506  -2.507   1.570  0.00  0.00    +0.075 C 
ATOM     17  N   LIG    1        6.854  -0.200   0.918  0.00  0.00    -0.146 NA
ATOM     18  N   LIG    1        6.200   0.493  -0.081  0.00  0.00    -0.135 NA
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   3
BRANCH   1  20
ATOM     19  N   LIG    1       -1.994  -0.320  -2.370  0.00  0.00    -0.215 NA
ATOM     20  C   LIG    1       -0.760  -0.046  -2.062  0.00  0.00    +0.202 C 
BRANCH  19  24
ATOM     21  C   LIG    1       -5.004   0.262   0.516  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -4.429  -0.996   0.340  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -3.435  -1.184  -0.627  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1       -3.001  -0.121  -1.419  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1       -3.593   1.131  -1.260  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -4.584   1.321  -0.294  0.00  0.00    +0.048 A 
BRANCH  21  27
ATOM     27  O   LIG    1       -5.977   0.593   1.415  0.00  0.00    -0.492 OA
BRANCH  27  29
ATOM     28  C   LIG    1       -7.588  -1.203   1.687  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1       -6.460  -0.404   2.315  0.00  0.00    +0.225 C 
ENDBRANCH  27  29
ENDBRANCH  21  27
ENDBRANCH  19  24
BRANCH  20  30
ATOM     30  N   LIG    1        0.190  -0.265  -3.004  0.00  0.00    -0.369 N 
ATOM     31  H   LIG    1       -0.181  -0.322  -3.944  0.00  0.00    +0.159 HD
ATOM     32  H   LIG    1        1.020   0.319  -2.911  0.00  0.00    +0.159 HD
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 9