REMARK  Name = BDB019107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.881  -0.259   0.114  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        1.060   0.885  -0.070  0.00  0.00    +0.096 A 
ATOM      3  N   LIG    1       -0.305   0.686  -0.005  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.896   1.915  -0.146  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1       -0.011   2.869  -0.350  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1       -0.885  -0.576   0.215  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.119  -1.615   0.412  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.212   2.237  -0.298  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1        1.248  -1.430   0.348  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.075  -0.252   0.051  0.00  0.00    +0.176 A 
ATOM     11  N   LIG    1        5.463  -0.219   1.264  0.00  0.00    -0.236 NA
ATOM     12  C   LIG    1        4.111  -0.231   1.237  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.350  -0.263   0.068  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        4.030  -0.285  -1.156  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.422  -0.277  -1.171  0.00  0.00    +0.048 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.227   0.741   1.566  0.00  0.00    +0.202 C 
ATOM     17  S   LIG    1        7.853  -0.207   0.116  0.00  0.00    +0.011 S 
ATOM     18  O   LIG    1        8.314  -1.569   0.321  0.00  0.00    -0.168 OA
ATOM     19  O   LIG    1        8.306   0.560  -1.033  0.00  0.00    -0.168 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -2.254  -0.730   0.254  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.433  -1.657   0.644  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.012  -0.635  -0.994  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.454  -0.973  -0.745  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.278  -0.206   0.075  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.970   0.992   0.893  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.393   1.420   1.256  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.272   0.279   1.142  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.603  -0.564   0.294  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.171  -1.682  -0.282  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.371  -2.457  -1.120  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.034  -2.100  -1.344  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.295  -2.874  -2.151  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
BRANCH   8  33
ATOM     33  C   LIG    1        2.432   2.970  -0.450  0.00  0.00    +0.121 C 
ATOM     34  N   LIG    1        3.442   3.532  -0.570  0.00  0.00    -0.189 NA
ENDBRANCH   8  33
TORSDOF 6