REMARK  Name = BDB017417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.461   1.889   0.324  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.477   2.890   0.196  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.286   3.667  -0.425  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.422   1.045   1.212  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.874   1.255  -1.179  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -2.795   1.318  -0.290  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.567   1.882  -0.673  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -1.407   2.397  -1.962  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.483   2.378  -2.846  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.704   1.828  -2.448  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -5.136   0.777  -0.832  0.00  0.00    -0.340 N 
ATOM     12  H   LIG    1       -5.676   0.456  -1.637  0.00  0.00    +0.146 HD
BRANCH  11  16
ATOM     13  C   LIG    1       -8.416  -2.088  -0.184  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -7.113  -1.482  -0.413  0.00  0.00    -0.304 NA
ATOM     15  C   LIG    1       -6.845  -0.368   0.509  0.00  0.00    +0.106 C 
ATOM     16  C   LIG    1       -5.337  -0.122   0.315  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -4.787  -1.524   0.019  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1       -6.011  -2.417  -0.183  0.00  0.00    +0.086 C 
ENDBRANCH  11  16
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1        1.538   3.083   1.180  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.824   2.302   0.849  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.162   2.571  -0.524  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        2.404   2.247  -1.044  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.682   0.780   1.096  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.965   0.048   1.230  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.809   0.174   0.025  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.010  -0.752   0.004  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.083  -1.871   0.850  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.196  -2.720   0.791  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.222  -2.473  -0.121  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.147  -1.374  -0.973  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.994  -2.115   1.861  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        7.046  -0.519  -0.913  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        3.699  -1.374   1.508  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8