REMARK  Name = BDB015559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.878  -0.609   1.072  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.231  -1.775   1.047  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.087  -1.686   0.836  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.775  -0.544   0.671  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.072   0.604   0.722  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.285   0.623   0.950  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.863   1.847   0.560  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.389   2.857  -0.195  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.100   4.034  -0.388  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.511   5.071  -1.220  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.357   4.247   0.173  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.030   5.265   0.036  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.894   3.130   0.991  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.180   2.010   1.159  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.262  -0.786   1.331  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        2.394  -1.791   1.468  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.293  -0.274   0.087  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.390  -1.377  -0.842  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.901   1.052  -0.342  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.826  -0.137   0.998  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.958   0.491   0.189  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.717   0.191  -1.590  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.498  -0.419  -0.915  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -1.758  -2.905   0.822  0.00  0.00    -0.422 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.077  -2.866   0.424  0.00  0.00    +0.152 A 
ATOM     26  C   LIG    1       -4.094  -2.582   1.349  0.00  0.00    +0.094 A 
ATOM     27  C   LIG    1       -5.428  -2.580   0.925  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -5.743  -2.870  -0.402  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.729  -3.173  -1.313  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -3.387  -3.190  -0.909  0.00  0.00    -0.007 A 
ATOM     31  C   LIG    1       -2.308  -3.512  -1.904  0.00  0.00    +0.047 C 
BRANCH  26  32
ATOM     32  C   LIG    1       -3.796  -2.285   2.719  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -3.567  -2.036   3.830  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 9