REMARK  Name = BDB001228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.270  -0.333  -2.392  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        0.207   0.553  -2.404  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.243   1.348  -1.780  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.170  -1.464  -2.867  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.509   2.694  -2.291  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        3.017   1.438  -1.675  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        2.475   0.166  -1.753  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        3.508  -0.942  -0.946  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        4.577   0.335  -0.514  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1        4.197   1.522  -0.948  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        5.808   0.104   0.272  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        6.252  -1.172   0.662  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        7.429  -1.328   1.400  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        8.176  -0.212   1.755  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        7.766   1.062   1.386  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        6.588   1.214   0.648  0.00  0.00    +0.014 A 
BRANCH  14  17
ATOM     17  O   LIG    1        9.316  -0.412   2.471  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        9.737   0.449   2.631  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1       -1.100   0.164  -2.888  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.024  -0.161  -1.742  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -1.872  -1.352  -1.024  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -2.729  -1.648   0.041  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -3.756  -0.772   0.406  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -3.902   0.419  -0.299  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -3.042   0.724  -1.364  0.00  0.00    +0.009 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -4.514  -1.211   1.451  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.758  -0.601   1.806  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -6.451  -1.632   2.720  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -5.509   0.661   2.646  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.744  -0.330   0.653  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -7.310   0.726   0.409  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -6.954  -1.405  -0.135  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -7.551  -1.087  -0.843  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9