REMARK  Name = BDB019129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.883  -0.425   0.013  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1       -1.377   0.857  -0.356  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1       -0.004   0.921  -0.564  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        0.316   2.234  -0.783  0.00  0.00    +0.209 A 
ATOM      5  N   LIG    1       -0.748   2.999  -0.816  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1        0.852  -0.200  -0.521  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.354  -1.364  -0.211  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -1.825   2.146  -0.622  0.00  0.00    +0.202 A 
ATOM      9  C   LIG    1       -0.992  -1.441   0.067  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.055  -1.734   1.983  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1       -5.691  -1.413   1.459  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1       -5.426  -1.729   0.178  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1       -4.209  -1.388  -0.314  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -3.961  -1.745  -1.752  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1       -3.244  -0.756   0.462  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -3.623  -0.501   1.769  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1       -4.830  -0.796   2.288  0.00  0.00    -0.240 NA
ENDBRANCH   1  15
BRANCH   8  18
ATOM     18  S   LIG    1       -3.457   2.759  -0.697  0.00  0.00    +0.013 S 
ATOM     19  O   LIG    1       -3.390   3.935  -1.542  0.00  0.00    -0.168 OA
ATOM     20  O   LIG    1       -4.284   1.625  -1.047  0.00  0.00    -0.168 OA
ATOM     21  C   LIG    1       -3.790   3.263   0.968  0.00  0.00    +0.202 C 
ENDBRANCH   8  18
BRANCH   6  22
ATOM     22  N   LIG    1        2.192  -0.030  -0.806  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        2.429   0.729  -1.436  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.059  -1.182  -0.993  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.487  -0.723  -1.045  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.207  -0.400   0.102  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.819  -0.493   1.530  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        5.976   0.291   2.152  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        7.099   0.278   1.241  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        6.528   0.021   0.023  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        7.191   0.146  -1.182  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        6.483  -0.151  -2.346  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        5.149  -0.575  -2.270  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        4.497  -0.841  -3.411  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5