REMARK  Name = BDB003867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.459  -1.886  -1.253  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.876  -0.892  -0.822  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.063  -0.170  -1.650  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.153  -0.674  -2.530  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.723  -0.205  -1.379  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.002  -0.942  -2.049  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.173   0.824  -0.385  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -0.858   0.298   0.243  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.220   1.015  -0.441  0.00  0.00    -0.309 N 
ATOM     10  C   LIG    1       -0.283   1.750  -1.585  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -1.718   2.068  -1.176  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -3.189   1.237   0.694  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.887   0.050   1.351  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -5.125  -0.373   0.575  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1        1.486   0.521  -0.365  0.00  0.00    +0.162 A 
ATOM     16  S   LIG    1        2.773   1.045  -1.396  0.00  0.00    -0.052 S 
ATOM     17  C   LIG    1        3.866  -0.024  -0.614  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        3.183  -0.704   0.392  0.00  0.00    +0.080 A 
ATOM     19  C   LIG    1        3.884  -1.643   1.178  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        5.243  -1.879   0.941  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        5.903  -1.181  -0.075  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        5.231  -0.240  -0.874  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1        1.848  -0.379   0.523  0.00  0.00    -0.225 NA
BRANCH  21  24
ATOM     24  N   LIG    1        7.331  -1.434  -0.317  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1        7.898  -2.269   0.403  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        7.884  -0.797  -1.224  0.00  0.00    -0.126 OA
ENDBRANCH  21  24
ENDBRANCH   9  15
TORSDOF 2