REMARK  Name = BDB015666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.583   0.376  -0.613  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -2.008  -0.843  -0.251  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.073  -1.707   0.195  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.253  -1.352   0.315  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.565  -0.080  -0.090  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.321   0.821  -0.516  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.540  -3.065   0.577  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.775  -3.205   1.099  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.283  -4.436   1.491  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.624  -4.483   2.050  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.555  -5.615   1.369  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.942  -6.728   1.714  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.206  -5.476   0.764  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.747  -4.273   0.395  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.861   0.486   0.019  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.771   1.457  -0.291  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.071  -0.250  -0.902  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.893  -1.687  -0.891  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.136   0.479  -2.150  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.552   0.134   0.070  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        4.784   1.643   0.136  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.474  -0.519   1.460  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        5.769  -0.408   2.252  0.00  0.00    +0.006 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -2.584   1.248  -1.021  0.00  0.00    -0.420 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -2.424   3.614  -1.371  0.00  0.00    -0.002 A 
ATOM     26  C   LIG    1       -2.183   2.302  -1.810  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -1.613   2.074  -3.066  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -1.433   0.822  -3.512  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -1.230   3.136  -3.878  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -1.434   4.443  -3.440  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -2.029   4.680  -2.197  0.00  0.00    +0.007 A 
BRANCH  25  33
ATOM     32  C   LIG    1       -2.025   3.996   1.079  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -3.058   3.902  -0.033  0.00  0.00    +0.035 C 
ENDBRANCH  25  33
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8