REMARK  Name = BDB015663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.862  -0.890   0.466  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.031   0.103   0.788  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.273  -0.188   0.668  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.775  -1.369   0.280  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.889  -2.315  -0.088  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.472  -2.123   0.006  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.472  -3.593  -0.560  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.969  -4.201  -1.652  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.482  -5.397  -2.136  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.878  -5.981  -3.323  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.562  -6.043  -1.537  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.050  -7.104  -1.913  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.143  -5.358  -0.354  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.621  -4.207   0.087  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.231  -0.552   0.561  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        2.854  -1.294   0.876  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.883   0.174  -0.809  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.155  -0.296  -1.968  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        4.309  -0.059  -0.704  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.564   1.942  -0.536  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        3.081   2.728  -1.741  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        2.872   3.858   1.132  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        3.189   2.411   0.787  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -2.224   0.746   1.055  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.840   2.067   1.022  0.00  0.00    +0.173 A 
ATOM     26  C   LIG    1       -1.467   2.678  -0.177  0.00  0.00    +0.201 A 
ATOM     27  F   LIG    1       -1.427   1.971  -1.317  0.00  0.00    -0.199 F 
ATOM     28  C   LIG    1       -1.136   4.026  -0.195  0.00  0.00    +0.162 A 
ATOM     29  F   LIG    1       -0.756   4.611  -1.339  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -1.192   4.783   0.970  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -1.584   4.183   2.168  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -1.919   2.820   2.206  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -2.349   2.181   3.496  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7