REMARK  Name = BDB028638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.309   1.744  -2.144  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1        0.073   2.675  -2.026  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.419   0.620  -1.785  0.00  0.00    +0.188 A 
ATOM      4  C   LIG    1        1.735   0.656  -1.254  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1        2.033  -0.674  -1.021  0.00  0.00    +0.169 A 
ATOM      6  C   LIG    1        3.239  -1.131  -0.496  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        4.207  -0.157  -0.188  0.00  0.00    -0.023 A 
ATOM      8  C   LIG    1        3.932   1.204  -0.412  0.00  0.00    +0.006 A 
ATOM      9  O   LIG    1        0.972  -1.442  -1.382  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        2.703   1.628  -0.944  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1       -0.044  -0.631  -1.857  0.00  0.00    -0.061 NA
BRANCH   7  12
ATOM     12  C   LIG    1        5.539  -0.582   0.390  0.00  0.00    +0.178 C 
BRANCH  12  13
ATOM     13  N   LIG    1        5.404  -1.043   1.764  0.00  0.00    -0.267 N 
ATOM     14  N   LIG    1        5.405  -2.365   2.037  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        5.282  -2.414   3.365  0.00  0.00    +0.134 A 
ATOM     16  C   LIG    1        5.216  -1.134   3.946  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        5.304  -0.265   2.885  0.00  0.00    +0.108 A 
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  S   LIG    1       -1.741   1.701  -3.010  0.00  0.00    +0.077 S 
ATOM     19  O   LIG    1       -1.506   0.904  -4.194  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -2.145   3.091  -3.117  0.00  0.00    -0.150 OA
BRANCH  18  23
ATOM     21  C   LIG    1       -3.802   0.796   0.359  0.00  0.00    -0.020 A 
ATOM     22  C   LIG    1       -2.927   1.379  -0.571  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -2.889   0.928  -1.903  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.742  -0.092  -2.318  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1       -4.639  -0.654  -1.405  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -4.663  -0.218  -0.078  0.00  0.00    +0.009 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -3.812  -0.485  -3.624  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -3.234  -1.780  -3.802  0.00  0.00    +0.277 C 
ENDBRANCH  24  27
BRANCH  21  29
ATOM     29  C   LIG    1       -3.862   1.314   1.775  0.00  0.00    +0.194 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -4.166   0.694   4.027  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -4.091   0.238   2.684  0.00  0.00    -0.378 OA
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 8