REMARK  Name = BDB015509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519  -1.240   0.251  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.704   0.018  -0.155  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -0.354   0.607  -0.732  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -1.550   0.021  -0.892  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1       -1.692  -1.236  -0.432  0.00  0.00    +0.226 A 
ATOM      6  C   LIG    1       -0.659  -1.931   0.151  0.00  0.00    +0.112 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.204   2.003  -1.227  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        0.985   2.627  -1.123  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1        1.186   3.928  -1.560  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        2.514   4.508  -1.430  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.182   4.677  -2.172  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        0.337   5.818  -2.601  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.151   4.005  -2.290  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.251   4.793  -2.924  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.298   2.749  -1.836  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.646  -1.805   0.891  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        1.748  -2.816   0.804  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        1.847  -1.362   2.498  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        0.542  -1.204   3.103  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.789  -2.321   3.039  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.660   0.233   2.408  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.905   0.223   1.530  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.798   1.605   0.608  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.574   1.597   1.509  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  25
ATOM     25  O   LIG    1       -2.963  -1.737  -0.619  0.00  0.00    -0.437 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.279  -2.942  -0.033  0.00  0.00    +0.136 A 
ATOM     27  C   LIG    1       -3.681  -2.985   1.315  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -3.765  -1.743   2.157  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -3.966  -4.230   1.889  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -3.891  -5.396   1.127  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -3.540  -5.334  -0.222  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.246  -4.105  -0.824  0.00  0.00    -0.008 A 
ATOM     33  C   LIG    1       -2.862  -4.053  -2.275  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 8