REMARK  Name = BDB037199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.018  -0.630   2.140  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1       -0.625  -1.536   1.956  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1       -0.430   0.525   1.705  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1       -0.998   1.600   1.551  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.018   0.384   1.361  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        1.421   1.009   0.229  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.720   0.888  -0.112  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.650   0.151   0.620  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.201  -0.482   1.786  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.867  -0.365   2.168  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.173   1.525  -1.247  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.181   2.312  -1.899  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.082   0.026   0.174  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.242  -0.912  -0.931  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.929  -0.540  -2.032  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.920  -1.633  -2.799  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.267  -2.714  -2.184  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        4.855  -2.226  -0.967  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.676  -0.730   2.348  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.914   0.142   3.478  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.847  -2.259   2.396  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -3.831  -2.479   2.566  0.00  0.00    +0.199 HD
BRANCH  19  24
ATOM     23  C   LIG    1       -4.838   0.404   1.109  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -3.568  -0.161   0.929  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -3.020  -0.265  -0.361  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -3.756   0.220  -1.452  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -5.017   0.791  -1.266  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -5.564   0.869   0.010  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -5.538   1.736   2.858  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.444   0.406   2.337  0.00  0.00    -0.494 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -1.816  -0.905  -0.509  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -1.075  -0.617  -1.692  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 8