REMARK  Name = BDB056405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.128  -0.262  -0.337  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        0.727   0.765  -0.754  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.069   0.502  -1.038  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        2.563  -0.796  -0.883  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        1.722  -1.834  -0.469  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        0.381  -1.560  -0.190  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   4   7
ATOM      7  S   LIG    1        4.256  -1.155  -1.277  0.00  0.00    +0.073 S 
ATOM      8  O   LIG    1        4.872   0.003  -1.891  0.00  0.00    -0.150 OA
ATOM      9  O   LIG    1        4.255  -2.429  -1.973  0.00  0.00    -0.150 OA
BRANCH   7  10
ATOM     10  N   LIG    1        4.973  -1.465   0.199  0.00  0.00    -0.199 N 
ATOM     11  H   LIG    1        5.554  -2.296   0.186  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  C   LIG    1        5.325  -0.391   1.035  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1        4.426   0.599   1.153  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1        4.719   1.594   2.018  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1        5.865   1.625   2.796  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.761   0.570   2.682  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        6.483  -0.466   1.794  0.00  0.00    +0.045 A 
ENDBRANCH  10  12
ENDBRANCH   7  10
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  N   LIG    1       -2.210  -0.356  -0.966  0.00  0.00    -0.147 NA
ATOM     19  N   LIG    1       -1.469   0.028  -0.034  0.00  0.00    -0.149 NA
BRANCH  18  26
ATOM     20  C   LIG    1       -6.288  -0.983   1.796  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1       -5.581  -0.331   0.643  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1       -6.229   0.606  -0.165  0.00  0.00    +0.140 A 
ATOM     23  C   LIG    1       -5.564   1.214  -1.240  0.00  0.00    +0.105 A 
ATOM     24 CL   LIG    1       -6.422   2.372  -2.209  0.00  0.00    -0.078 Cl
ATOM     25  C   LIG    1       -4.234   0.878  -1.549  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -3.555  -0.021  -0.697  0.00  0.00    +0.109 A 
ATOM     27  C   LIG    1       -4.241  -0.633   0.368  0.00  0.00    +0.038 A 
BRANCH  25  28
ATOM     28  N   LIG    1       -3.516   1.574  -2.555  0.00  0.00    -0.355 N 
ATOM     29  H   LIG    1       -4.107   1.915  -3.309  0.00  0.00    +0.142 HD
ATOM     30  H   LIG    1       -2.696   1.061  -2.873  0.00  0.00    +0.142 HD
ENDBRANCH  25  28
BRANCH  22  31
ATOM     31  O   LIG    1       -7.533   0.915   0.127  0.00  0.00    -0.505 OA
ATOM     32  H   LIG    1       -7.818   1.596  -0.511  0.00  0.00    +0.292 HD
ENDBRANCH  22  31
ENDBRANCH  18  26
ENDBRANCH   1  19
TORSDOF 7