REMARK  Name = BDB013127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.694  -0.114  -0.439  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.152  -1.411  -0.661  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.201  -1.501  -0.875  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.447  -2.818  -1.127  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.334  -3.508  -1.008  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.054  -0.395  -0.849  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.561   0.798  -0.653  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.677  -2.619  -0.715  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.198   0.904  -0.444  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.843   0.587   0.363  0.00  0.00    +0.128 A 
ATOM     11  N   LIG    1        4.206  -0.480   0.901  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        2.892  -0.673   0.619  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.125   0.163  -0.183  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        2.798   1.244  -0.750  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        4.156   1.457  -0.477  0.00  0.00    +0.044 A 
BRANCH  10  18
ATOM     16  O   LIG    1        6.564   2.933  -0.103  0.00  0.00    -0.274 OA
ATOM     17  C   LIG    1        6.969   1.902   0.431  0.00  0.00    +0.235 C 
ATOM     18  N   LIG    1        6.221   0.746   0.682  0.00  0.00    -0.254 N 
ATOM     19  C   LIG    1        6.866  -0.298   1.482  0.00  0.00    +0.130 C 
ATOM     20  C   LIG    1        8.283  -0.604   0.966  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        9.072   0.566   0.550  0.00  0.00    -0.307 NA
ATOM     22  H   LIG    1        9.146   0.560  -0.469  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        8.417   1.826   0.945  0.00  0.00    +0.178 C 
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  N   LIG    1       -3.409  -0.544  -1.045  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.794   0.382  -1.234  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.212  -1.150   0.013  0.00  0.00    +0.140 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.670  -0.962  -0.301  0.00  0.00    -0.024 A 
ATOM     28  C   LIG    1       -6.394   0.128   0.173  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.988   1.228   1.082  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -7.183   2.163   0.892  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -8.314   1.393   0.427  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.740   0.282  -0.134  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -8.422  -0.621  -0.922  0.00  0.00    +0.046 A 
ATOM     34  C   LIG    1       -7.712  -1.708  -1.432  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -6.349  -1.873  -1.130  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 5