REMARK  Name = BDB016083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.107   0.356  -0.337  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.116   0.014  -0.784  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.114   0.920  -0.687  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -0.904   2.185  -0.129  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.390   2.429   0.296  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        1.403   1.544   0.213  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.536  -1.310  -0.102  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.498  -0.368  -0.007  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.186  -0.647  -0.447  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.951  -1.922  -0.994  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.970  -2.871  -1.095  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.255  -2.566  -0.650  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        9.472  -1.149   0.447  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        8.056  -0.917   0.596  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.623  -0.030   1.508  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.295  -0.064   1.368  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.869  -0.976   0.373  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        7.048  -1.510  -0.109  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -1.929   3.208  -0.015  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -2.033   4.120   1.017  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -3.127   4.890   0.740  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -3.643   5.984   1.526  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -3.751   4.542  -0.398  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.019   3.524  -0.859  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.405   0.527  -1.114  0.00  0.00    -0.313 N 
ATOM     26  C   LIG    1       -3.202   0.061   0.048  0.00  0.00    +0.127 C 
ATOM     27  C   LIG    1       -3.865  -1.253  -0.409  0.00  0.00    +0.095 C 
ATOM     28  C   LIG    1       -2.855  -1.797  -1.406  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -2.421  -0.536  -2.138  0.00  0.00    +0.108 C 
BRANCH  27  30
ATOM     30  N   LIG    1       -4.067  -2.179   0.719  0.00  0.00    -0.190 NA
ATOM     31  H   LIG    1       -3.228  -2.522   1.194  0.00  0.00    +0.148 HD
BRANCH  30  32
ATOM     32  S   LIG    1       -5.233  -3.377   0.579  0.00  0.00    +0.027 S 
ATOM     33  O   LIG    1       -4.883  -4.376   1.563  0.00  0.00    -0.158 OA
ATOM     34  O   LIG    1       -5.387  -3.703  -0.819  0.00  0.00    -0.158 OA
ATOM     35  C   LIG    1       -6.689  -2.525   1.145  0.00  0.00    +0.214 C 
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH   3  25
TORSDOF 6