REMARK  Name = BDB037238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.243  -0.586  -0.846  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1       -1.085   0.078  -1.581  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1       -0.286  -1.050   0.014  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1       -0.459  -1.989   0.786  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.032  -0.348  -0.055  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        2.123  -1.129   0.123  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.332  -0.534   0.052  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.514   0.829  -0.177  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.362   1.614  -0.327  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.103   1.022  -0.270  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.460  -1.302   0.257  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        4.184  -2.694   0.385  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.889   1.442  -0.234  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.131   2.125  -1.501  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.331   1.415  -2.631  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.532   2.349  -3.563  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.474   3.652  -3.037  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.221   3.477  -1.697  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.800  -1.215  -0.853  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -3.501  -0.226  -1.648  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.523  -2.662  -1.281  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -1.863  -3.092  -0.625  0.00  0.00    +0.199 HD
BRANCH  19  24
ATOM     23  C   LIG    1       -3.203  -0.012   1.580  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -3.477  -1.130   0.780  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -4.290  -2.150   1.286  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -4.787  -2.063   2.594  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -4.457  -0.980   3.406  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -3.663   0.046   2.900  0.00  0.00    +0.047 A 
BRANCH  25  29
ATOM     29  O   LIG    1       -4.704  -3.178   0.485  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1       -4.298  -4.454   0.983  0.00  0.00    +0.277 C 
ENDBRANCH  25  29
BRANCH  23  31
ATOM     31  O   LIG    1       -2.461   1.042   1.107  0.00  0.00    -0.491 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -2.498   3.182   0.047  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -3.307   2.170   0.835  0.00  0.00    +0.226 C 
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 9