REMARK  Name = BDB015460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.529  -0.266   0.498  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.403   1.066   0.408  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.222   1.541  -0.038  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.805   0.706  -0.421  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.564  -0.634  -0.263  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.586  -1.158   0.162  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.115   3.018  -0.132  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.033   3.637   0.202  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.178   5.014   0.137  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.460   5.591   0.513  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -0.146   5.860  -0.269  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -0.247   7.082  -0.353  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        1.150   5.190  -0.608  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.284   6.077  -1.009  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        1.239   3.853  -0.529  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -1.495  -1.644  -0.617  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -1.004  -2.532  -0.479  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.906  -1.667   0.315  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -2.603  -2.436   1.502  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.434  -0.322   0.416  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.026  -2.626  -0.726  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -3.522  -4.051  -0.934  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -4.280  -1.931  -2.060  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        2.768  -0.701   0.954  0.00  0.00    -0.423 OA
BRANCH  24  27
ATOM     25  C   LIG    1        4.218  -2.251  -0.956  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        3.624  -2.842   0.290  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1        2.894  -2.050   1.190  0.00  0.00    +0.136 A 
ATOM     28  C   LIG    1        2.361  -2.594   2.363  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        2.519  -3.955   2.628  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        3.219  -4.762   1.724  0.00  0.00    +0.019 A 
ATOM     31  C   LIG    1        3.769  -4.208   0.564  0.00  0.00    +0.008 A 
BRANCH  29  32
ATOM     32  C   LIG    1        1.972  -4.527   3.823  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1        1.538  -4.999   4.790  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 7