REMARK  Name = BDB009217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.194   1.689   2.125  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.127   0.667   2.349  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.361   0.944   2.960  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.616   2.249   3.405  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.673   3.261   3.216  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.465   2.984   2.575  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.007   0.483   0.415  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        0.094   0.112   0.173  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.092   1.427   1.417  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        2.081   2.073   1.740  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1        1.644  -0.946  -1.403  0.00  0.00    +0.141 A 
ATOM     12  C   LIG    1        2.032  -0.021  -0.415  0.00  0.00    +0.076 A 
ATOM     13  C   LIG    1        3.378   0.339  -0.293  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        4.369  -0.199  -1.141  0.00  0.00    -0.040 A 
ATOM     15  C   LIG    1        3.953  -1.117  -2.117  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        2.609  -1.488  -2.248  0.00  0.00    +0.048 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.839   0.228  -0.970  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1        5.965   1.754  -1.167  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1        6.327  -0.144   0.447  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        6.803  -0.442  -1.975  0.00  0.00    +0.015 C 
ENDBRANCH  14  17
BRANCH  11  22
ATOM     21  C   LIG    1       -0.126  -2.193  -2.410  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        0.299  -1.237  -1.444  0.00  0.00    -0.493 OA
ENDBRANCH  11  22
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -3.382  -0.151   3.179  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.537  -1.079   1.975  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.214  -0.580   0.737  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -4.868   0.773   0.704  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.783   0.972  -0.509  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.125   0.454  -1.782  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.794  -1.035  -1.662  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -4.202  -1.401  -0.328  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -3.584  -2.747  -0.225  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -3.541  -3.513  -1.182  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -3.078  -3.079   1.001  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -2.648  -3.994   1.094  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -3.016  -2.265   2.087  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6