REMARK  Name = BDB029711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.875  -1.071  -0.567  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.380  -2.130  -1.462  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -1.063  -2.530  -1.077  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -2.046  -1.427  -1.171  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.410  -0.119  -0.899  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.139  -0.154  -0.017  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        4.931  -0.404   0.129  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        4.031   0.164   0.974  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        2.723  -0.085   0.702  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        2.226  -0.861  -0.356  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        3.211  -1.417  -1.183  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        4.571  -1.194  -0.950  0.00  0.00    +0.035 A 
BRANCH   7  14
ATOM     13  O   LIG    1        7.266  -0.611  -0.282  0.00  0.00    -0.269 OA
ATOM     14  C   LIG    1        6.376  -0.138   0.416  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1        6.585   0.670   1.517  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        5.750   0.984   2.004  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        7.877   1.064   1.966  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        8.405   2.436   1.655  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        8.031   2.081   3.063  0.00  0.00    +0.024 C 
ENDBRANCH  15  17
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  C   LIG    1       -3.201  -1.700  -0.307  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.401  -0.842  -0.628  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -5.088  -0.145   0.373  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -6.202   0.609   0.025  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -6.606   0.640  -1.310  0.00  0.00    +0.089 A 
ATOM     25  C   LIG    1       -7.774   1.428  -1.683  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1       -8.449   2.113  -0.749  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -8.027   2.088   0.691  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -8.617   2.700   1.575  0.00  0.00    -0.266 OA
ATOM     29 CL   LIG    1       -9.832   3.051  -1.167  0.00  0.00    -0.078 Cl
ATOM     30  N   LIG    1       -5.975  -0.026  -2.297  0.00  0.00    -0.253 NA
ATOM     31  N   LIG    1       -6.918   1.329   0.990  0.00  0.00    -0.320 N 
ATOM     32  H   LIG    1       -6.640   1.316   1.963  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1       -4.890  -0.751  -1.933  0.00  0.00    +0.116 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5