REMARK  Name = BDB028144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.061   0.544  -1.206  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.915  -0.258  -0.705  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.069  -1.640  -0.684  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.030  -2.464  -0.240  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        1.169  -1.895   0.194  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.341  -0.503   0.199  0.00  0.00    -0.009 A 
ATOM      7  C   LIG    1       -2.344  -2.229  -1.126  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -2.519  -3.442  -1.129  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.313  -1.343  -1.526  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -4.200  -1.730  -1.831  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        0.287   0.310  -0.257  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -3.189   0.011  -1.579  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.608   0.072   0.662  0.00  0.00    +0.039 A 
ATOM     14  S   LIG    1        2.651   1.456   1.686  0.00  0.00    -0.075 S 
ATOM     15  C   LIG    1        4.362   1.373   1.715  0.00  0.00    +0.156 A 
ATOM     16  N   LIG    1        4.907   0.396   1.026  0.00  0.00    -0.255 NA
ATOM     17  C   LIG    1        3.907  -0.348   0.430  0.00  0.00    +0.127 A 
ENDBRANCH   6  13
BRANCH   1  18
ATOM     18  C   LIG    1       -1.947   2.063  -1.296  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.111   2.638   0.040  0.00  0.00    -0.325 NA
ATOM     20  H   LIG    1       -3.030   2.362   0.395  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -2.147   3.654  -0.041  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 3