REMARK  Name = BDB033722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.184  -0.066  -0.293  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1       -0.717  -0.656  -0.924  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   6
ATOM      3  N   LIG    1        3.807  -0.190  -1.249  0.00  0.00    -0.174 NA
ATOM      4  C   LIG    1        2.614  -0.712  -1.969  0.00  0.00    +0.111 C 
ATOM      5  C   LIG    1        1.692  -1.467  -1.023  0.00  0.00    +0.039 C 
ATOM      6  C   LIG    1        1.145  -0.549   0.085  0.00  0.00    +0.076 C 
ATOM      7  C   LIG    1        2.084   0.641   0.336  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        3.542   0.245   0.149  0.00  0.00    +0.111 C 
BRANCH   3   9
ATOM      9  S   LIG    1        5.225  -1.149  -1.458  0.00  0.00    +0.098 S 
ATOM     10  O   LIG    1        5.079  -2.318  -0.610  0.00  0.00    -0.150 OA
ATOM     11  O   LIG    1        5.447  -1.282  -2.885  0.00  0.00    -0.150 OA
BRANCH   9  15
ATOM     12  C   LIG    1       10.023   0.550  -0.746  0.00  0.00    +0.174 C 
ATOM     13  N   LIG    1        8.610   0.373  -0.535  0.00  0.00    -0.253 N 
ATOM     14  N   LIG    1        7.895  -0.413  -1.354  0.00  0.00    -0.129 NA
ATOM     15  C   LIG    1        6.655  -0.305  -0.828  0.00  0.00    +0.306 A 
ATOM     16  N   LIG    1        6.597   0.512   0.296  0.00  0.00    -0.198 NA
ATOM     17  C   LIG    1        7.838   0.916   0.440  0.00  0.00    +0.220 A 
ENDBRANCH   9  15
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.055   0.249   0.737  0.00  0.00    +0.219 A 
ATOM     19  N   LIG    1       -2.352   0.062   0.468  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -3.236   0.379   1.437  0.00  0.00    +0.237 A 
ATOM     21  C   LIG    1       -2.869   0.864   2.671  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1       -1.518   1.007   2.855  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -0.601   0.704   1.911  0.00  0.00    -0.221 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.799   1.195   3.694  0.00  0.00    +0.106 C 
ATOM     25  N   LIG    1       -4.530   1.470   4.553  0.00  0.00    -0.191 NA
ENDBRANCH  21  24
BRANCH  20  26
ATOM     26  O   LIG    1       -4.585   0.216   1.192  0.00  0.00    -0.469 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.924  -0.274  -0.111  0.00  0.00    +0.206 C 
ATOM     28  C   LIG    1       -6.380  -0.791  -0.106  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1       -6.729  -1.688   1.075  0.00  0.00    +0.045 C 
ATOM     30  C   LIG    1       -7.206   0.497  -0.121  0.00  0.00    +0.038 C 
ATOM     31  C   LIG    1       -6.387   1.489  -0.952  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -4.993   0.879  -1.119  0.00  0.00    +0.047 C 
BRANCH  28  33
ATOM     33  O   LIG    1       -6.652  -1.508  -1.317  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1       -6.164  -2.349  -1.285  0.00  0.00    +0.210 HD
ENDBRANCH  28  33
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  18
TORSDOF 8