REMARK  Name = BDB021207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.158  -3.317   1.325  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.053  -2.334   0.984  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.348  -1.218   0.945  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.011  -1.463   1.194  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.965  -0.450   1.167  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.614   0.787   0.943  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.722   1.045   0.714  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.723   0.138   0.704  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -0.110  -2.804   1.474  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.109   0.590   0.429  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        3.664   1.694   1.099  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.975   2.103   0.842  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        5.744   1.404  -0.090  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        5.224   0.290  -0.749  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        3.910  -0.112  -0.488  0.00  0.00    +0.010 A 
BRANCH  13  16
ATOM     16  S   LIG    1        7.413   1.917  -0.403  0.00  0.00    +0.056 S 
ATOM     17  O   LIG    1        8.123   0.824  -1.026  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        7.908   2.604   0.766  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  N   LIG    1        7.188   3.061  -1.619  0.00  0.00    -0.204 NA
ATOM     20  H   LIG    1        6.209   3.296  -1.777  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1        7.644   2.727  -2.470  0.00  0.00    +0.144 HD
ENDBRANCH  16  19
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  23
ATOM     22  N   LIG    1        1.855  -5.796   1.629  0.00  0.00    -0.189 NA
ATOM     23  C   LIG    1        1.564  -4.680   1.494  0.00  0.00    +0.121 C 
ENDBRANCH   1  23
BRANCH   5  24
ATOM     24  N   LIG    1       -2.294  -0.736   1.385  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -2.792   0.146   1.501  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.018  -1.606   0.463  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.382  -1.052   0.169  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -4.575   0.076  -0.625  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.588   0.974  -1.275  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -4.530   1.757  -2.189  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -5.869   1.698  -1.645  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -5.851   0.576  -0.859  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -6.981  -0.005  -0.322  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -6.814  -1.142   0.468  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -5.530  -1.652   0.705  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -5.410  -2.745   1.472  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   5  24
TORSDOF 7