REMARK  Name = BDB015633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.838   0.705  -0.179  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1        0.091   1.433   0.634  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -1.135   0.946   0.817  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1       -1.612  -0.142   0.215  0.00  0.00    -0.175 NA
ATOM      5  C   LIG    1       -0.767  -0.739  -0.625  0.00  0.00    +0.328 A 
ATOM      6  N   LIG    1        0.474  -0.350  -0.878  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.057   1.660   1.744  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.631   2.751   2.412  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -2.447   3.458   3.286  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.895   4.622   3.962  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.767   3.092   3.538  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.534   3.678   4.295  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.246   1.889   2.812  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.432   1.231   1.977  0.00  0.00    +0.018 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.086   1.273  -0.451  0.00  0.00    -0.188 N 
ATOM     16  H   LIG    1        2.229   2.124   0.086  0.00  0.00    +0.176 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.394   0.249  -0.276  0.00  0.00    +0.045 S 
ATOM     18  O   LIG    1        3.069  -0.799   0.667  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        4.514   1.136  -0.031  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.578  -0.432  -1.926  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.644  -1.522  -2.009  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.093  -2.095  -2.139  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.074  -0.993  -1.894  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   5  24
ATOM     24  O   LIG    1       -1.171  -1.878  -1.313  0.00  0.00    -0.419 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.503  -2.191  -1.213  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1       -2.939  -3.202  -0.355  0.00  0.00    +0.086 A 
ATOM     27 CL   LIG    1       -1.833  -4.071   0.641  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -4.299  -3.521  -0.288  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -5.221  -2.839  -1.087  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.784  -1.840  -1.956  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -3.429  -1.527  -2.018  0.00  0.00    +0.167 A 
ATOM     32  F   LIG    1       -3.021  -0.569  -2.863  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 8