REMARK  Name = BDB015650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.590   0.601  -0.636  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        1.006  -0.529  -1.038  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -0.335  -0.508  -1.077  0.00  0.00    +0.166 A 
ATOM      4  N   LIG    1       -1.092   0.564  -0.772  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.453   1.661  -0.319  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        0.921   1.733  -0.245  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.322   2.802   0.053  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.081   3.494   1.185  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.868   4.566   1.579  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.535   5.254   2.816  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.971   4.993   0.842  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.696   5.939   1.136  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.263   4.213  -0.388  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.480   3.185  -0.739  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   3  15
ATOM     15  C   LIG    1       -1.036  -1.704  -1.563  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1       -0.821  -2.988  -1.015  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1       -1.510  -4.093  -1.538  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -2.420  -3.935  -2.586  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -2.656  -2.675  -3.120  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -1.972  -1.571  -2.611  0.00  0.00    +0.015 A 
BRANCH  16  21
ATOM     21  O   LIG    1        0.057  -3.068   0.038  0.00  0.00    -0.494 OA
ATOM     22  C   LIG    1        0.198  -4.321   0.693  0.00  0.00    +0.277 C 
ENDBRANCH  16  21
ENDBRANCH   3  15
BRANCH   1  23
ATOM     23  N   LIG    1        2.999   0.533  -0.567  0.00  0.00    -0.204 N 
ATOM     24  H   LIG    1        3.504   1.397  -0.751  0.00  0.00    +0.175 HD
BRANCH  23  25
ATOM     25  S   LIG    1        3.610  -0.197   0.819  0.00  0.00    +0.044 S 
ATOM     26  O   LIG    1        4.978   0.274   0.906  0.00  0.00    -0.155 OA
ATOM     27  O   LIG    1        2.691   0.021   1.915  0.00  0.00    -0.155 OA
BRANCH  25  29
ATOM     28  C   LIG    1        4.264  -2.772   1.458  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1        3.646  -1.928   0.361  0.00  0.00    +0.185 C 
ENDBRANCH  25  29
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 6