REMARK  Name = BDB001630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.059  -1.801  -1.046  0.00  0.00    -0.112 N 
ATOM      2  C   LIG    1        0.410  -2.598   0.042  0.00  0.00    +0.143 A 
ATOM      3  C   LIG    1        1.598  -2.082   0.510  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1        1.873  -0.976  -0.313  0.00  0.00    +0.246 A 
ATOM      5  N   LIG    1        0.934  -0.766  -1.233  0.00  0.00    -0.110 NA
ENDROOT
BRANCH   1   6
ATOM      6  S   LIG    1       -1.464  -1.935  -1.859  0.00  0.00    +0.101 S 
ATOM      7  O   LIG    1       -1.901  -3.315  -1.707  0.00  0.00    -0.146 OA
ATOM      8  O   LIG    1       -1.286  -1.337  -3.171  0.00  0.00    -0.146 OA
BRANCH   6  12
ATOM      9  C   LIG    1       -4.167   0.809   0.590  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -3.244   1.349  -0.309  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -2.417   0.507  -1.058  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1       -2.513  -0.879  -0.900  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1       -3.439  -1.430  -0.014  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -4.259  -0.580   0.730  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -4.992   2.936   1.265  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -5.030   1.518   1.379  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   6  12
ENDBRANCH   1   6
BRANCH   2  17
ATOM     17  N   LIG    1       -0.297  -3.656   0.509  0.00  0.00    -0.342 N 
ATOM     18  H   LIG    1       -0.990  -4.118  -0.096  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        0.145  -4.320   1.145  0.00  0.00    +0.144 HD
ENDBRANCH   2  17
BRANCH   4  20
ATOM     20  O   LIG    1        2.876  -0.080  -0.335  0.00  0.00    -0.400 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.933  -0.195   0.515  0.00  0.00    +0.381 C 
ATOM     22  O   LIG    1        4.100  -1.073   1.353  0.00  0.00    -0.241 OA
BRANCH  21  23
ATOM     23  C   LIG    1        4.844   0.903   0.268  0.00  0.00    +0.212 A 
ATOM     24  O   LIG    1        5.980   0.991   1.032  0.00  0.00    -0.456 OA
ATOM     25  C   LIG    1        6.666   2.086   0.619  0.00  0.00    +0.196 A 
ATOM     26  C   LIG    1        5.998   2.717  -0.402  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        4.824   1.958  -0.630  0.00  0.00    +0.056 A 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 7