REMARK  Name = BDB054971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.893  -0.778   1.154  0.00  0.00    +0.170 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.061  -1.448   1.868  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1       -2.662  -0.886   3.007  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.728  -1.525   3.644  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -4.207  -2.738   3.156  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.621  -3.314   2.032  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.555  -2.676   1.393  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  10
ATOM      8  N   LIG    1       -0.665   0.935  -0.637  0.00  0.00    -0.189 N 
ATOM      9  H   LIG    1        0.017   0.278  -1.026  0.00  0.00    +0.176 HD
ATOM     10  C   LIG    1       -1.222   0.632   0.626  0.00  0.00    +0.249 C 
ATOM     11  O   LIG    1       -1.906   1.453   1.224  0.00  0.00    -0.273 OA
BRANCH   8  13
ATOM     12  C   LIG    1       -1.983   3.139  -1.469  0.00  0.00    +0.218 C 
ATOM     13  S   LIG    1       -0.357   2.480  -1.155  0.00  0.00    +0.042 S 
ATOM     14  O   LIG    1        0.275   3.209  -0.080  0.00  0.00    -0.155 OA
ATOM     15  O   LIG    1        0.313   2.321  -2.429  0.00  0.00    -0.155 OA
ENDBRANCH   8  13
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.587  -0.700   2.228  0.00  0.00    -0.081 S 
BRANCH  16  17
ATOM     17  C   LIG    1        1.846  -0.346   1.065  0.00  0.00    +0.137 A 
ATOM     18  S   LIG    1        3.404   0.164   1.549  0.00  0.00    -0.061 S 
ATOM     19  C   LIG    1        3.882   0.267  -0.100  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        2.807  -0.109  -0.910  0.00  0.00    +0.081 A 
ATOM     21  C   LIG    1        2.970  -0.095  -2.309  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.199   0.289  -2.850  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1        5.261   0.658  -2.030  0.00  0.00    +0.021 A 
ATOM     24 CL   LIG    1        4.404   0.300  -4.560  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        5.120   0.654  -0.639  0.00  0.00    +0.018 A 
ATOM     26  N   LIG    1        1.647  -0.465  -0.230  0.00  0.00    -0.233 NA
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5