REMARK  Name = BDB014420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.027   1.513  -0.776  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.423   0.304  -0.516  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.052  -0.482  -0.367  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.447   2.468  -1.287  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.484   1.602  -0.322  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.053   0.302  -0.186  0.00  0.00    -0.483 OA
BRANCH   6  10
ATOM      7  C   LIG    1       -6.994  -0.198   1.032  0.00  0.00    +0.088 A 
ATOM      8  C   LIG    1       -6.504   1.105   0.928  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.183   1.318   0.518  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.356   0.232   0.223  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1       -4.857  -1.069   0.346  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -6.173  -1.291   0.756  0.00  0.00    +0.030 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -9.575  -0.524   0.045  0.00  0.00    +0.200 C 
ATOM     14  S   LIG    1       -8.667  -0.470   1.567  0.00  0.00    -0.006 S 
ATOM     15  O   LIG    1       -9.087   0.707   2.302  0.00  0.00    -0.170 OA
ATOM     16  O   LIG    1       -8.723  -1.786   2.175  0.00  0.00    -0.170 OA
ENDBRANCH   7  14
ENDBRANCH   6  10
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  17
ATOM     17  C   LIG    1        0.892  -0.022  -1.043  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.456  -1.275  -0.359  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.505  -2.347  -0.516  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.840  -3.104  -0.005  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.811  -1.709  -0.962  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.892  -0.715  -0.874  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.292  -0.462   0.525  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.537   0.389   0.671  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.432   0.556  -0.400  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.588   1.328  -0.229  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.870   1.911   1.006  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.997   1.732   2.076  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.110  -0.041  -1.744  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.837   0.974   1.911  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.063  -1.158  -1.651  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 9