REMARK  Name = BDB037250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.708  -0.190   1.063  0.00  0.00    -0.221 N 
ATOM      2  H   LIG    1       -0.729  -0.256   0.060  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1        0.262   0.485   1.745  0.00  0.00    +0.256 C 
ATOM      4  O   LIG    1        0.186   0.818   2.922  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.463   0.882   0.953  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.267   1.919   1.452  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        3.414   2.333   0.766  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.769   1.699  -0.437  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        2.962   0.657  -0.930  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.823   0.244  -0.238  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.254   3.327   1.191  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1        3.893   4.043   2.367  0.00  0.00    +0.277 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.003   2.106  -1.214  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.986   1.030  -1.261  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.204   0.361  -2.415  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.151  -0.523  -2.092  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.537  -0.429  -0.742  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.773   0.593  -0.231  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.157  -0.625   1.804  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -1.770  -1.777   2.590  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.729   0.708   2.305  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -2.074   1.087   2.999  0.00  0.00    +0.199 HD
BRANCH  19  26
ATOM     23  C   LIG    1       -5.003  -2.227  -1.412  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1       -3.939  -1.407  -1.776  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1       -3.101  -0.873  -0.792  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.289  -1.201   0.555  0.00  0.00    +0.148 A 
ATOM     27  C   LIG    1       -4.374  -2.006   0.935  0.00  0.00    +0.145 A 
ATOM     28  C   LIG    1       -5.223  -2.508  -0.059  0.00  0.00    +0.092 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -5.691  -2.604  -3.660  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.898  -2.808  -2.267  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -2.064  -0.067  -1.195  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -2.556   1.231  -1.558  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
BRANCH  27  33
ATOM     33  O   LIG    1       -4.553  -2.234   2.271  0.00  0.00    -0.494 OA
ATOM     34  C   LIG    1       -5.560  -3.154   2.671  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 9