REMARK  Name = BDB037922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.382   1.368   0.189  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1        0.972   1.624   0.245  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        1.988   0.926   1.033  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        2.684   0.613  -0.309  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1        4.232   0.755  -0.362  0.00  0.00    +0.229 C 
ATOM      6  O   LIG    1        4.935   1.682   0.015  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1        4.726  -0.379  -0.927  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1        5.711  -0.528  -1.082  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1        3.783  -1.303  -1.269  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        4.018  -2.379  -1.792  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        2.415  -0.780  -0.893  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1        1.850   1.761  -0.915  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1       -1.048   1.504  -0.833  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -1.750  -0.236   1.499  0.00  0.00    +0.086 A 
ATOM     15  C   LIG    1       -0.983   0.914   1.436  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -0.891   1.546   2.721  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -1.583   0.859   3.694  0.00  0.00    +0.047 A 
ATOM     18  S   LIG    1       -2.323  -0.555   3.078  0.00  0.00    -0.091 S 
BRANCH  14  21
ATOM     19  C   LIG    1       -3.433  -2.297  -1.162  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.254  -1.349  -0.077  0.00  0.00    -0.303 N 
ATOM     21  C   LIG    1       -1.959  -1.201   0.436  0.00  0.00    +0.253 C 
ATOM     22  O   LIG    1       -1.010  -1.857   0.003  0.00  0.00    -0.269 OA
ATOM     23  C   LIG    1       -4.266  -0.306   0.023  0.00  0.00    +0.132 C 
ENDBRANCH  14  21
ENDBRANCH   1  15
TORSDOF 2