REMARK  Name = BDB045676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.303  -1.097  -1.155  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -0.791  -0.615  -1.775  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.997  -0.755  -1.197  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1       -2.154  -1.377  -0.020  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -1.057  -1.871   0.571  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1        0.204  -1.759   0.044  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.502  -0.893  -1.836  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1        1.290  -0.526  -2.758  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1        4.762  -1.062  -0.457  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1        4.910  -1.027  -1.820  0.00  0.00    -0.279 N 
ATOM     11  H   LIG    1        5.778  -1.046  -2.353  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1        3.750  -0.917  -2.481  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1        2.810  -0.974  -1.536  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1        3.397  -1.048  -0.251  0.00  0.00    +0.069 A 
BRANCH   9  17
ATOM     15  C   LIG    1        6.444  -1.056   2.958  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1        5.756  -0.349   1.785  0.00  0.00    +0.021 C 
ATOM     17  C   LIG    1        5.936  -1.145   0.476  0.00  0.00    +0.127 C 
ATOM     18  C   LIG    1        7.164  -0.486  -0.156  0.00  0.00    +0.225 C 
ATOM     19  O   LIG    1        7.714  -0.872  -1.179  0.00  0.00    -0.275 OA
ATOM     20  N   LIG    1        7.474   0.658   0.567  0.00  0.00    -0.304 N 
ATOM     21  C   LIG    1        8.375   1.668   0.063  0.00  0.00    +0.132 C 
ATOM     22  C   LIG    1        6.418   0.992   1.486  0.00  0.00    +0.111 C 
ENDBRANCH   9  17
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  N   LIG    1       -3.113  -0.217  -1.832  0.00  0.00    -0.302 N 
ATOM     24  C   LIG    1       -2.933   0.112  -3.236  0.00  0.00    +0.132 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.416  -0.731  -1.415  0.00  0.00    +0.111 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.998   0.101  -0.254  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -6.263  -0.579   0.296  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -6.900   0.231   1.424  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -7.210   1.663   0.975  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.953   2.352   0.435  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -5.312   1.542  -0.692  0.00  0.00    +0.006 C 
BRANCH  29  32
ATOM     32  N   LIG    1       -7.764   2.440   2.084  0.00  0.00    -0.327 NA
ATOM     33  H   LIG    1       -7.079   2.500   2.837  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1       -8.569   1.952   2.474  0.00  0.00    +0.118 HD
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 7