REMARK  Name = BDB033416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.193   3.404  -0.152  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -0.468   4.264   0.322  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -0.793  -1.011   3.523  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -0.711   0.107   2.516  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.783   0.459   1.651  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.612   1.517   0.742  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -2.812   1.660   0.074  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -2.974   2.343  -0.662  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -3.716   0.724   0.487  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -0.409   2.230   0.627  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1        0.608   1.907   1.531  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.114  -0.034   1.465  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1        0.471   0.865   2.443  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.754  -1.113   2.151  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -4.267  -1.991   2.712  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1       -0.614   3.484  -1.784  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1       -2.046   3.265  -1.889  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1       -0.033   4.721  -2.269  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        0.151   2.168  -2.707  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        0.237   2.365  -4.402  0.00  0.00    -0.055 S 
ATOM     21  C   LIG    1        0.974   0.827  -4.522  0.00  0.00    +0.081 A 
ATOM     22  C   LIG    1        1.100   0.235  -3.272  0.00  0.00    +0.135 A 
ATOM     23  N   LIG    1        0.617   1.029  -2.226  0.00  0.00    -0.216 NA
BRANCH  22  24
ATOM     24  C   LIG    1        1.675  -1.118  -3.117  0.00  0.00    +0.266 C 
ATOM     25  N   LIG    1        1.772  -1.677  -1.853  0.00  0.00    -0.296 N 
ATOM     26  C   LIG    1        1.439  -1.075  -0.572  0.00  0.00    +0.108 C 
ATOM     27  C   LIG    1        1.961  -2.065   0.463  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1        1.867  -3.401  -0.259  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1        2.251  -3.037  -1.685  0.00  0.00    +0.108 C 
ATOM     30  O   LIG    1        2.051  -1.746  -4.109  0.00  0.00    -0.268 OA
ENDBRANCH  22  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5