REMARK  Name = BDB015647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.638   0.049   0.262  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1        1.194  -0.972   1.000  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -0.140  -1.054   1.164  0.00  0.00    +0.166 A 
ATOM      4  N   LIG    1       -1.012  -0.181   0.633  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -0.517   0.809  -0.136  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        0.829   0.954  -0.375  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.503   1.733  -0.743  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.640   1.217  -1.248  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.613   2.008  -1.841  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.803   1.360  -2.368  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.483   3.389  -1.954  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.301   4.139  -2.480  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.241   3.967  -1.377  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.321   3.175  -0.811  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   3  15
ATOM     15  C   LIG    1       -0.650  -2.145   2.016  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1       -1.931  -2.717   1.874  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1       -2.353  -3.779   2.689  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -1.524  -4.268   3.694  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -0.263  -3.711   3.874  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        0.166  -2.671   3.044  0.00  0.00    +0.015 A 
BRANCH  16  21
ATOM     21  O   LIG    1       -2.774  -2.319   0.863  0.00  0.00    -0.494 OA
ATOM     22  C   LIG    1       -3.853  -1.546   1.392  0.00  0.00    +0.277 C 
ENDBRANCH  16  21
ENDBRANCH   3  15
BRANCH   1  23
ATOM     23  N   LIG    1        3.037  -0.029   0.082  0.00  0.00    -0.204 N 
ATOM     24  H   LIG    1        3.418  -0.791   0.645  0.00  0.00    +0.175 HD
BRANCH  23  25
ATOM     25  S   LIG    1        3.971   1.350   0.248  0.00  0.00    +0.044 S 
ATOM     26  O   LIG    1        5.104   0.976   1.065  0.00  0.00    -0.155 OA
ATOM     27  O   LIG    1        3.132   2.474   0.607  0.00  0.00    -0.155 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.544   1.611  -1.427  0.00  0.00    +0.188 C 
BRANCH  28  30
ATOM     29  C   LIG    1        5.238  -0.750  -2.118  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        5.667   0.689  -1.885  0.00  0.00    +0.021 C 
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 7