REMARK  Name = BDB046820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.305   1.890  -2.414  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.118   1.585  -3.368  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.141   1.076  -1.602  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -1.883   1.640  -0.561  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.641   0.792   0.228  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1       -3.518   1.120   1.398  0.00  0.00    +0.133 C 
ATOM      7  C   LIG    1       -4.050  -0.257   1.810  0.00  0.00    +0.224 C 
ATOM      8  N   LIG    1       -3.499  -1.194   0.932  0.00  0.00    -0.274 N 
ATOM      9  C   LIG    1       -3.754  -2.609   0.987  0.00  0.00    +0.138 C 
ATOM     10  O   LIG    1       -4.812  -0.473   2.739  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.666  -0.582  -0.007  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -1.942  -1.156  -1.034  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -1.171  -0.310  -1.839  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        1.039   2.646  -1.720  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1        1.843   3.130  -2.822  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.602   3.532  -0.662  0.00  0.00    -0.150 OA
BRANCH  14  20
ATOM     17  C   LIG    1        3.308  -0.836   0.190  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        2.427  -0.066   0.958  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        1.738   1.005   0.382  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        1.917   1.288  -0.975  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1        2.799   0.532  -1.751  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        3.485  -0.536  -1.166  0.00  0.00    +0.016 A 
BRANCH  17  24
ATOM     23  C   LIG    1        5.074  -1.390   2.229  0.00  0.00    +0.090 C 
ATOM     24  S   LIG    1        4.185  -2.223   0.887  0.00  0.00    -0.129 S 
ENDBRANCH  17  24
ENDBRANCH  14  20
ENDBRANCH   1  14
TORSDOF 4