REMARK  Name = BDB045677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.200  -1.695  -1.126  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        1.464  -1.301  -0.866  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.476  -2.169  -1.047  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        2.266  -3.423  -1.478  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        1.001  -3.792  -1.732  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.076  -2.962  -1.573  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.772  -0.717  -0.902  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1       -0.295   0.111  -0.566  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1       -4.197   0.093  -0.962  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1       -4.136  -1.187  -1.451  0.00  0.00    -0.279 N 
ATOM     11  H   LIG    1       -4.911  -1.757  -1.790  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1       -2.898  -1.698  -1.479  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1       -2.112  -0.713  -1.044  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1       -2.881   0.434  -0.723  0.00  0.00    +0.069 A 
BRANCH   9  19
ATOM     15  C   LIG    1       -9.110   0.047  -0.381  0.00  0.00    +0.132 C 
ATOM     16  N   LIG    1       -7.725   0.438  -0.257  0.00  0.00    -0.303 N 
ATOM     17  C   LIG    1       -6.720   0.008  -1.108  0.00  0.00    +0.225 C 
ATOM     18  O   LIG    1       -6.812  -0.877  -1.947  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.477   0.860  -0.833  0.00  0.00    +0.130 C 
ATOM     20  C   LIG    1       -5.786   1.464   0.566  0.00  0.00    -0.003 C 
ATOM     21  C   LIG    1       -5.372   0.553   1.740  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -5.160   2.851   0.753  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -7.320   1.577   0.525  0.00  0.00    +0.115 C 
ENDBRANCH   9  19
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  24
ATOM     24  N   LIG    1        3.788  -1.762  -0.749  0.00  0.00    -0.302 N 
ATOM     25  C   LIG    1        4.792  -2.607  -1.387  0.00  0.00    +0.132 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.986  -0.307  -0.797  0.00  0.00    +0.111 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.279   0.151  -0.087  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1        5.326  -0.325   1.379  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1        6.170   0.569   2.297  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        7.296   1.303   1.569  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.730   2.188   0.447  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1        5.420   1.677  -0.165  0.00  0.00    +0.006 C 
BRANCH  30  33
ATOM     33  N   LIG    1        8.260   0.341   1.029  0.00  0.00    -0.327 NA
ATOM     34  H   LIG    1        9.056   0.838   0.632  0.00  0.00    +0.118 HD
ATOM     35  H   LIG    1        8.629  -0.235   1.786  0.00  0.00    +0.118 HD
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   3  24
TORSDOF 7