REMARK  Name = BDB003071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.499   0.943  -1.205  0.00  0.00    -0.297 N 
ATOM      2  C   LIG    1       -0.790  -0.396  -0.998  0.00  0.00    +0.184 A 
ATOM      3  N   LIG    1       -0.476  -1.055  -2.108  0.00  0.00    -0.127 NA
ATOM      4  N   LIG    1        0.036  -0.179  -3.021  0.00  0.00    -0.122 NA
ATOM      5  C   LIG    1        0.022   1.010  -2.471  0.00  0.00    +0.193 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.333  -1.040   0.204  0.00  0.00    +0.109 A 
ATOM      7  N   LIG    1       -1.472  -0.277   1.313  0.00  0.00    -0.244 NA
ATOM      8  C   LIG    1       -1.931  -0.850   2.441  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -2.277  -2.215   2.509  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -2.752  -2.768   3.711  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.884  -1.973   4.848  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.543  -0.627   4.787  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.127  -2.986   1.353  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.071  -0.081   3.589  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -1.651  -2.393   0.189  0.00  0.00    +0.032 A 
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.669   2.057  -0.292  0.00  0.00    +0.152 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -2.987   2.760   0.410  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -1.992   2.744  -0.486  0.00  0.00    -0.013 C 
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  19
ATOM     19  S   LIG    1        0.655   2.438  -3.213  0.00  0.00    -0.077 S 
BRANCH  19  20
ATOM     20  C   LIG    1        1.996   1.710  -4.206  0.00  0.00    +0.173 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.104   1.208  -3.295  0.00  0.00    +0.224 C 
ATOM     22  N   LIG    1        2.987  -0.113  -2.917  0.00  0.00    -0.308 N 
ATOM     23  H   LIG    1        2.077  -0.558  -3.033  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        4.018   1.938  -2.915  0.00  0.00    -0.275 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.838  -0.675  -1.893  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.231  -0.418  -0.563  0.00  0.00    +0.122 A 
ATOM     27  O   LIG    1        2.619  -1.474   0.048  0.00  0.00    -0.466 OA
ATOM     28  C   LIG    1        2.136  -1.021   1.233  0.00  0.00    +0.195 A 
ATOM     29  C   LIG    1        2.429   0.313   1.395  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        3.142   0.703   0.237  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 8