REMARK  Name = BDB052392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.104  -2.205   0.158  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        3.220  -1.290   0.199  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1        3.194   0.071   0.125  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        2.082   0.991  -0.025  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1        2.340   2.334   0.212  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        3.692   2.818   0.680  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        4.880   1.925   0.239  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        1.247   3.149   0.082  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        0.030   2.698  -0.277  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1       -0.107   1.381  -0.523  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1        0.894   0.496  -0.402  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        4.505   0.483   0.267  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        5.271  -0.700   0.389  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1        4.471  -1.790   0.347  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        6.729  -0.820   0.536  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        7.501   0.133   0.562  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        7.174  -2.108   0.641  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        8.162  -2.296   0.705  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        6.494  -2.857   0.575  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1       -1.391   0.989  -0.875  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1       -2.029   1.771  -0.799  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.953  -0.195  -1.369  0.00  0.00    +0.076 A 
ATOM     23  C   LIG    1       -3.355  -0.342  -1.368  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.974  -1.508  -1.835  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -3.192  -2.570  -2.279  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -1.804  -2.457  -2.269  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -1.194  -1.280  -1.817  0.00  0.00    +0.027 A 
BRANCH  23  28
ATOM     28  O   LIG    1       -4.120   0.734  -0.958  0.00  0.00    -0.454 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.968   0.521   0.106  0.00  0.00    +0.129 A 
ATOM     30  C   LIG    1       -6.225   1.124   0.034  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -7.128   0.980   1.088  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.768   0.247   2.219  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.504  -0.337   2.301  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -4.598  -0.195   1.248  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 5