REMARK  Name = BDB015635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.273   0.729   0.578  0.00  0.00    +0.328 A 
ATOM      2  N   LIG    1       -0.925   0.154   0.485  0.00  0.00    -0.175 NA
ATOM      3  C   LIG    1       -0.919  -1.099   0.036  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        0.175  -1.762  -0.333  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        1.283  -1.048  -0.244  0.00  0.00    +0.241 A 
ATOM      6  N   LIG    1        1.423   0.171   0.234  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.220  -1.819  -0.058  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -3.352  -1.212   0.349  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -4.592  -1.830   0.292  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -5.752  -1.087   0.764  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.765  -3.126  -0.188  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.848  -3.704  -0.247  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.519  -3.820  -0.648  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.675  -5.214  -1.166  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.341  -3.178  -0.572  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        2.439  -1.758  -0.580  0.00  0.00    -0.188 N 
ATOM     17  H   LIG    1        2.210  -2.727  -0.791  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.335  -1.111  -1.833  0.00  0.00    +0.048 S 
ATOM     19  O   LIG    1        2.611  -0.044  -2.488  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.778  -2.266  -2.590  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.774  -0.462  -0.995  0.00  0.00    +0.151 C 
ATOM     22  C   LIG    1        5.800   0.092  -1.978  0.00  0.00    +0.028 C 
ATOM     23  C   LIG    1        6.687   1.007  -1.139  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        5.886   1.345   0.117  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        4.507   0.728  -0.087  0.00  0.00    +0.028 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  26
ATOM     26  O   LIG    1        0.374   2.044   1.020  0.00  0.00    -0.420 OA
BRANCH  26  29
ATOM     27  C   LIG    1       -1.044   4.055  -0.423  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -1.468   3.578   0.936  0.00  0.00    -0.005 A 
ATOM     29  C   LIG    1       -0.753   2.572   1.604  0.00  0.00    +0.170 A 
ATOM     30  C   LIG    1       -1.144   2.154   2.879  0.00  0.00    +0.166 A 
ATOM     31  F   LIG    1       -0.436   1.219   3.530  0.00  0.00    -0.202 F 
ATOM     32  C   LIG    1       -2.268   2.697   3.489  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -3.003   3.679   2.825  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -2.604   4.118   1.558  0.00  0.00    +0.007 A 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 6