REMARK  Name = BDB060618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.743   0.078   0.328  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.175  -0.784   0.872  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -0.013  -2.168   1.371  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -1.474  -2.577   1.662  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -2.333  -1.364   1.539  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1       -3.565  -1.545   0.758  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -3.278  -2.219  -0.603  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -2.274  -3.252  -0.578  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -1.980  -3.713   0.743  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -1.487  -0.381   0.949  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -1.914   0.796   0.500  0.00  0.00    -0.210 NA
ATOM     12  C   LIG    1       -0.960   1.589  -0.019  0.00  0.00    +0.190 A 
ATOM     13  N   LIG    1        0.355   1.284  -0.118  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        3.422  -1.043  -1.657  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1        2.782   0.172  -0.976  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1        2.101  -0.300   0.263  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1        2.776   0.130   1.513  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1        4.300   0.052   1.356  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1        4.825   0.854   0.288  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1        3.829   1.261  -0.661  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1       -1.400   2.893  -0.528  0.00  0.00    +0.167 A 
ATOM     22  S   LIG    1       -0.270   4.045  -1.134  0.00  0.00    +0.039 S 
ATOM     23  N   LIG    1       -1.448   5.173  -1.484  0.00  0.00    -0.175 NA
ATOM     24  C   LIG    1       -2.607   4.619  -1.148  0.00  0.00    +0.221 A 
ATOM     25  N   LIG    1       -2.637   3.361  -0.595  0.00  0.00    -0.202 NA
BRANCH  24  26
ATOM     26  N   LIG    1       -3.793   5.222  -1.279  0.00  0.00    -0.327 N 
ATOM     27  H   LIG    1       -3.778   6.231  -1.339  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -4.537   4.852  -0.701  0.00  0.00    +0.145 HD
ENDBRANCH  24  26
ENDBRANCH  12  21
TORSDOF 3