REMARK  Name = BDB037039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.019  -2.009   0.922  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        2.181  -1.438   0.418  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1        2.425  -0.073  -0.135  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1        3.860  -0.069  -0.384  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        4.418  -1.323  -0.189  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        5.548  -1.695  -0.439  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        3.367  -2.173   0.380  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.461  -3.478   0.824  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.305  -4.061   1.339  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.099  -3.333   1.390  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        4.495   1.007  -1.137  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        4.445   0.733  -2.649  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        3.534   0.112  -3.196  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        5.427   1.332  -3.403  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.372   1.180  -4.401  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        6.398   2.206  -2.982  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.120   2.785  -3.788  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.464   2.483  -1.498  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.925   1.310  -0.693  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  24
ATOM     20  C   LIG    1       -4.106   0.384   1.302  0.00  0.00    +0.404 C 
ATOM     21  N   LIG    1       -2.792  -0.036   1.159  0.00  0.00    -0.263 N 
ATOM     22  C   LIG    1       -1.905   0.059   2.312  0.00  0.00    +0.116 C 
ATOM     23  C   LIG    1       -0.883  -1.077   2.337  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1       -0.255  -1.280   0.984  0.00  0.00    -0.041 C 
ATOM     25  C   LIG    1       -0.860  -0.836  -0.132  0.00  0.00    -0.004 C 
ATOM     26  C   LIG    1       -2.181  -0.124  -0.161  0.00  0.00    +0.138 C 
ATOM     27  O   LIG    1       -4.614   0.669   2.379  0.00  0.00    -0.226 OA
BRANCH  20  28
ATOM     28  O   LIG    1       -4.754   0.447   0.110  0.00  0.00    -0.445 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -7.056  -0.118   0.785  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -6.144   0.855   0.031  0.00  0.00    +0.107 C 
ATOM     31  C   LIG    1       -6.484   0.785  -1.466  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -6.329   2.301   0.506  0.00  0.00    +0.055 C 
ENDBRANCH  28  30
ENDBRANCH  20  28
ENDBRANCH   1  24
TORSDOF 4