REMARK  Name = BDB033737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.943   1.075   1.803  0.00  0.00    +0.110 A 
ATOM      2  C   LIG    1       -2.098   0.284   0.674  0.00  0.00    +0.144 A 
ATOM      3  N   LIG    1       -1.017  -0.186   0.011  0.00  0.00    -0.198 NA
ATOM      4  C   LIG    1        0.215   0.138   0.441  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        0.434   0.913   1.508  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.649   1.358   2.172  0.00  0.00    +0.136 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -3.377  -0.067   0.207  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1       -3.433  -1.343  -0.531  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1       -4.793  -1.530  -1.220  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -5.907  -0.767  -0.514  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -5.592   0.729  -0.423  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -4.090   1.030  -0.459  0.00  0.00    +0.106 C 
ENDBRANCH   2   7
BRANCH   1  14
ATOM     13  N   LIG    1       -3.884   1.989   3.246  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -3.029   1.557   2.591  0.00  0.00    +0.104 C 
ENDBRANCH   1  14
BRANCH   4  15
ATOM     15  N   LIG    1        1.256  -0.383  -0.322  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        0.865  -0.943  -1.065  0.00  0.00    +0.155 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.650  -0.377  -0.199  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        3.337   0.217   0.866  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        4.736   0.213   0.922  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        5.465  -0.377  -0.109  0.00  0.00    +0.105 A 
ATOM     21  C   LIG    1        4.811  -0.979  -1.182  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        3.413  -0.969  -1.222  0.00  0.00    +0.025 A 
BRANCH  20  23
ATOM     23  S   LIG    1        7.235  -0.375  -0.033  0.00  0.00    +0.056 S 
ATOM     24  O   LIG    1        7.633  -0.451   1.352  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        7.740  -1.280  -1.040  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1        7.594   1.171  -0.597  0.00  0.00    -0.204 NA
ATOM     27  H   LIG    1        6.773   1.768  -0.686  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        8.107   1.089  -1.476  0.00  0.00    +0.144 HD
ENDBRANCH  23  26
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   4  15
TORSDOF 6