REMARK  Name = BDB033726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.153   0.082   1.243  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.469  -0.043   1.048  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.031  -1.232   1.353  0.00  0.00    +0.237 A 
ATOM      4  C   LIG    1       -1.318  -2.308   1.825  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        0.026  -2.084   1.984  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1        0.624  -0.908   1.701  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.377   1.316   0.930  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -0.316   1.802   0.370  0.00  0.00    +0.149 HD
BRANCH   7  12
ATOM      9  N   LIG    1        4.456   0.749  -0.100  0.00  0.00    -0.166 NA
ATOM     10  C   LIG    1        3.491   0.756  -1.232  0.00  0.00    +0.112 C 
ATOM     11  C   LIG    1        2.043   0.604  -0.778  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1        1.758   1.445   0.469  0.00  0.00    +0.076 C 
ATOM     13  C   LIG    1        2.776   1.233   1.598  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1        3.884   0.273   1.183  0.00  0.00    +0.112 C 
BRANCH   9  15
ATOM     15  S   LIG    1        5.972   0.126  -0.497  0.00  0.00    +0.097 S 
ATOM     16  O   LIG    1        6.411   0.728  -1.733  0.00  0.00    -0.141 OA
ATOM     17  O   LIG    1        5.947  -1.304  -0.317  0.00  0.00    -0.141 OA
BRANCH  15  19
ATOM     18  C   LIG    1        7.084   2.228   0.717  0.00  0.00    +0.129 C 
ATOM     19  N   LIG    1        6.903   0.771   0.738  0.00  0.00    -0.183 NA
ATOM     20  H   LIG    1        7.790   0.268   0.765  0.00  0.00    +0.149 HD
ENDBRANCH  15  19
ENDBRANCH   9  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1       -1.903  -3.568   2.130  0.00  0.00    +0.106 C 
ATOM     22  N   LIG    1       -2.342  -4.610   2.391  0.00  0.00    -0.191 NA
ENDBRANCH   4  21
BRANCH   3  23
ATOM     23  O   LIG    1       -3.382  -1.411   1.131  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.145  -0.235   0.846  0.00  0.00    +0.237 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.620  -0.182  -0.622  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.473  -0.227  -1.644  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -4.125  -0.673  -2.951  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -5.359  -1.479  -2.550  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -5.422  -1.433  -1.024  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -5.468   1.092  -0.807  0.00  0.00    +0.014 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8