REMARK  Name = BDB032978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.500  -0.833  -1.579  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.207   0.019  -0.563  0.00  0.00    -0.037 A 
ATOM      3  C   LIG    1        0.426   1.074   0.114  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.302   1.887   0.986  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.649   1.615   1.232  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -2.296   0.523   0.637  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -1.563  -0.242  -0.281  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.866   1.392  -0.059  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        2.698   0.349   0.272  0.00  0.00    -0.261 N 
ATOM     10  H   LIG    1        2.317  -0.510   0.639  0.00  0.00    +0.157 HD
ATOM     11  O   LIG    1        2.175   2.519  -0.418  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.058   0.438   0.177  0.00  0.00    +0.167 A 
ATOM     13  S   LIG    1        4.880  -0.972   0.690  0.00  0.00    -0.028 S 
ATOM     14  C   LIG    1        6.353  -0.203   0.323  0.00  0.00    +0.185 A 
ATOM     15  C   LIG    1        6.136   1.063  -0.165  0.00  0.00    +0.153 A 
ATOM     16  N   LIG    1        4.804   1.425  -0.248  0.00  0.00    -0.231 NA
BRANCH  14  17
ATOM     17  N   LIG    1        7.610  -0.848   0.518  0.00  0.00    +0.065 N 
ATOM     18  O   LIG    1        7.611  -2.002   0.966  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1        8.617  -0.193   0.220  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   6  20
ATOM     20  N   LIG    1       -3.653   0.342   0.892  0.00  0.00    -0.341 N 
ATOM     21  H   LIG    1       -3.956   0.773   1.761  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.372  -0.882   0.542  0.00  0.00    +0.064 C 
ATOM     23  C   LIG    1       -5.019  -0.721  -0.833  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -5.450  -1.146   1.595  0.00  0.00    +0.027 C 
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5