REMARK  Name = BDB022128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.154  -0.398  -0.253  0.00  0.00    -0.202 N 
ATOM      2  C   LIG    1       -0.036  -1.138  -0.646  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.160  -2.572  -0.292  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1        0.779  -0.280  -1.379  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        0.087   0.946  -1.358  0.00  0.00    +0.148 A 
ATOM      6  N   LIG    1       -1.050   0.900  -0.673  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.758  -2.149   2.566  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -4.554  -1.641   1.843  0.00  0.00    -0.006 A 
ATOM      9  C   LIG    1       -4.350  -0.324   1.466  0.00  0.00    +0.086 A 
ATOM     10  N   LIG    1       -3.264   0.084   0.775  0.00  0.00    -0.210 NA
ATOM     11  C   LIG    1       -2.318  -0.834   0.489  0.00  0.00    +0.252 A 
ATOM     12  N   LIG    1       -2.411  -2.130   0.852  0.00  0.00    -0.219 NA
ATOM     13  C   LIG    1       -3.523  -2.497   1.516  0.00  0.00    +0.120 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.290   0.771   1.726  0.00  0.00    +0.038 A 
ATOM     15  S   LIG    1       -5.756   1.172   3.329  0.00  0.00    -0.095 S 
ATOM     16  C   LIG    1       -6.745   2.461   2.794  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -6.701   2.611   1.427  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -5.850   1.647   0.814  0.00  0.00    +0.017 A 
ENDBRANCH   9  14
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        2.043  -0.600  -2.030  0.00  0.00    +0.247 C 
ATOM     20  N   LIG    1        2.850   0.490  -2.287  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        2.616   1.381  -1.874  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.373  -1.746  -2.315  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.180   0.335  -2.839  0.00  0.00    +0.105 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.218  -0.066  -1.788  0.00  0.00    +0.022 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.374   0.924  -0.617  0.00  0.00    -0.016 C 
ATOM     26  C   LIG    1        5.819   2.312  -1.080  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1        6.380   0.371   0.397  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6