REMARK  Name = BDB024692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.099   2.563  -0.144  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.620   1.250   0.013  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.563   0.153   0.345  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.092   0.287   1.784  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.987  -1.265   0.203  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        4.091  -1.361  -1.010  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.974  -0.378  -0.821  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.644  -0.690  -1.172  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        1.131  -1.856  -1.686  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.163  -1.653  -1.850  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.505  -0.382  -1.440  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.640   0.255  -1.013  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.889   1.533  -0.513  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.214   1.837  -0.174  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.261   0.914  -0.323  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.435   3.546  -0.458  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.994   3.959  -0.126  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.450   2.651   0.051  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.830   0.216  -1.446  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.486   0.175  -0.057  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.866   0.703  -0.066  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1       -4.644   0.115   1.042  0.00  0.00    +0.107 C 
ATOM     23  C   LIG    1       -5.982   0.797   1.251  0.00  0.00    +0.181 C 
ATOM     24  S   LIG    1       -5.710   2.442   1.869  0.00  0.00    -0.029 S 
ATOM     25  O   LIG    1       -6.701   3.315   1.268  0.00  0.00    -0.174 OA
ATOM     26  O   LIG    1       -5.570   2.362   3.311  0.00  0.00    -0.174 OA
ATOM     27  C   LIG    1       -4.120   2.871   1.198  0.00  0.00    +0.181 C 
ATOM     28  C   LIG    1       -3.925   2.175  -0.137  0.00  0.00    +0.107 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  29
ATOM     29  C   LIG    1       -1.117  -2.665  -2.413  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.067  -3.250  -1.391  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -1.578  -3.854  -0.223  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.456  -4.399   0.715  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.830  -4.359   0.491  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.328  -3.776  -0.673  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -3.453  -3.227  -1.611  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6