REMARK  Name = BDB052715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.629   1.644   1.394  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -2.772   0.949   1.121  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -3.677   1.788   1.777  0.00  0.00    +0.102 A 
ATOM      4  C   LIG    1       -4.958   1.209   1.605  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -4.942   0.020   0.839  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -3.266   2.879   2.403  0.00  0.00    -0.172 NA
ATOM      7  S   LIG    1       -3.319  -0.491   0.299  0.00  0.00    -0.079 S 
ATOM      8  N   LIG    1       -1.907   2.786   2.151  0.00  0.00    -0.262 N 
ATOM      9  H   LIG    1       -1.251   3.481   2.504  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.755   2.023   1.325  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1       -0.360   1.276   0.983  0.00  0.00    -0.266 N 
ATOM     12  H   LIG    1       -0.265   0.404   0.475  0.00  0.00    +0.157 HD
ATOM     13  O   LIG    1        0.725   3.031   2.028  0.00  0.00    -0.270 OA
BRANCH  10  17
ATOM     14  C   LIG    1        4.599   0.600  -0.099  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        4.458   1.321   1.097  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        3.212   1.780   1.548  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        2.058   1.520   0.809  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        2.168   0.824  -0.395  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        3.422   0.372  -0.832  0.00  0.00    +0.024 A 
BRANCH  14  24
ATOM     20  C   LIG    1        9.145  -1.026  -2.683  0.00  0.00    +0.105 C 
ATOM     21  N   LIG    1        8.507  -0.925  -1.374  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1        8.240   0.488  -1.033  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1        7.095   0.688  -0.013  0.00  0.00    +0.120 C 
ATOM     24  N   LIG    1        5.830   0.149  -0.543  0.00  0.00    -0.327 N 
ATOM     25  C   LIG    1        5.947  -0.974  -1.490  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        7.277  -1.740  -1.294  0.00  0.00    +0.103 C 
ENDBRANCH  14  24
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   5  27
ATOM     27  C   LIG    1       -6.065  -0.843   0.449  0.00  0.00    +0.255 C 
ATOM     28  N   LIG    1       -7.297  -0.202   0.478  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1       -7.290   0.790   0.668  0.00  0.00    +0.155 HD
ATOM     30  O   LIG    1       -5.906  -2.012   0.112  0.00  0.00    -0.269 OA
BRANCH  28  31
ATOM     31  C   LIG    1       -8.568  -0.751   0.203  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -9.660   0.128   0.235  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1      -10.955  -0.330  -0.020  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1      -11.173  -1.673  -0.310  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1      -10.096  -2.555  -0.341  0.00  0.00    +0.002 A 
ATOM     36  C   LIG    1       -8.799  -2.097  -0.085  0.00  0.00    +0.023 A 
ENDBRANCH  28  31
ENDBRANCH   5  27
TORSDOF 5