REMARK  Name = BDB059243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.366  -0.282   1.074  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.560  -0.761   0.560  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.575  -1.121  -0.396  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.328   0.590   1.939  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -2.157  -3.950  -1.303  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.108  -2.589  -0.671  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -3.277  -1.821  -0.563  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -3.260  -0.566   0.068  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -2.057  -0.080   0.595  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -0.884  -0.841   0.491  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -0.915  -2.099  -0.126  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -4.465   0.186   0.161  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -5.627  -0.292  -0.356  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -6.530   0.652  -0.096  0.00  0.00    +0.138 A 
ATOM     15  C   LIG    1       -5.987   1.755   0.587  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1       -6.683   2.978   1.041  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1       -4.657   1.424   0.740  0.00  0.00    +0.117 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  N   LIG    1        2.807   0.079   0.920  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.559   0.777   1.644  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.466   0.921  -0.420  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        3.111   0.141  -1.592  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.102   2.314  -0.305  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.194   0.765  -0.155  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        5.735   1.246   1.030  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        4.959   1.806   1.968  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        7.103   1.143   1.267  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        7.930   0.555   0.309  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        7.387   0.070  -0.883  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.014   0.174  -1.120  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5