REMARK  Name = BDB013139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.304   0.094   0.124  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.750   1.058  -0.760  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.483   0.781  -1.301  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.767   1.838  -2.116  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.208   2.717  -2.067  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.210  -0.384  -1.015  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.685  -1.271  -0.211  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.167   2.225  -1.209  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.559  -1.014   0.329  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        5.013   0.698   0.668  0.00  0.00    -0.000 A 
ATOM     11  C   LIG    1        5.083   0.451   2.043  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        6.368   0.555   2.811  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1        3.995   0.103   2.776  0.00  0.00    -0.259 NA
ATOM     14  C   LIG    1        2.807   0.002   2.134  0.00  0.00    +0.119 A 
ATOM     15  C   LIG    1        2.625   0.214   0.773  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        3.759   0.577   0.044  0.00  0.00    +0.017 A 
BRANCH  10  17
ATOM     17  C   LIG    1        6.205   1.100  -0.162  0.00  0.00    +0.196 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.057  -0.995  -0.886  0.00  0.00    +0.194 C 
ATOM     19  O   LIG    1        6.402   0.210  -1.263  0.00  0.00    -0.378 OA
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  15
BRANCH   6  20
ATOM     20  N   LIG    1       -2.450  -0.558  -1.597  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.929   0.267  -1.936  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.377  -1.579  -1.139  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.332  -0.980  -0.141  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -5.562  -0.446  -0.512  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -6.235  -0.412  -1.833  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -7.369   0.561  -1.513  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.598   0.567  -0.086  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.415   0.107   0.434  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.093   0.163   1.773  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -4.856  -0.345   2.167  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.983  -0.907   1.220  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6