REMARK  Name = BDB037168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.381   0.510   0.081  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -1.048  -0.391  -0.255  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.539   1.635   0.207  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.940   2.732   0.566  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.915   1.399  -0.114  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.607   2.498  -0.507  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.913   2.347  -0.805  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.585   1.129  -0.744  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.853   0.010  -0.331  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.503   0.141  -0.010  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.636   3.454  -1.192  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.888   4.668  -1.135  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.051   1.014  -1.060  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.843   0.882   0.155  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.455  -0.293   0.444  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.113  -0.035   1.578  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.917   1.290   2.024  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.077   1.857   1.090  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.012   0.552   0.464  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -3.131   0.686   1.901  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.624   1.473  -0.469  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.780  -2.217   0.187  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.594  -1.081   0.075  0.00  0.00    +0.192 A 
ATOM     24  C   LIG    1       -4.902  -1.259  -0.350  0.00  0.00    +0.154 A 
ATOM     25  O   LIG    1       -5.859  -0.284  -0.452  0.00  0.00    -0.489 OA
ATOM     26  C   LIG    1       -6.944  -0.905  -1.177  0.00  0.00    +0.234 C 
ATOM     27  C   LIG    1       -6.824  -2.420  -1.048  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.389  -2.518  -0.688  0.00  0.00    -0.000 A 
ATOM     29  C   LIG    1       -4.590  -3.645  -0.609  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1       -3.272  -3.488  -0.174  0.00  0.00    +0.048 A 
BRANCH  22  32
ATOM     31  C   LIG    1       -1.294  -2.709   1.886  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -1.473  -2.105   0.598  0.00  0.00    -0.493 OA
ENDBRANCH  22  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7