REMARK  Name = BDB022412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.806  -0.492  -1.891  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.467  -0.315  -1.496  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.583  -0.264  -2.433  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1       -0.268  -0.387  -3.793  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.053  -0.562  -4.204  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.079  -0.615  -3.261  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        4.877  -0.676   1.042  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        3.818  -1.506   1.137  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1        2.857  -1.418   0.183  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1        2.886  -0.541  -0.897  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        4.011   0.281  -0.982  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.018   0.212  -0.013  0.00  0.00    +0.044 A 
BRANCH   7  14
ATOM     13  C   LIG    1        6.924  -0.194   2.452  0.00  0.00    +0.242 C 
ATOM     14  N   LIG    1        5.810  -0.861   2.058  0.00  0.00    -0.267 N 
ATOM     15  H   LIG    1        5.648  -1.718   2.571  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1        7.746  -0.734   3.192  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     17  C   LIG    1        6.277   2.176   2.303  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1        7.165   1.207   2.045  0.00  0.00    +0.060 C 
ENDBRANCH  13  18
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1       -2.021  -0.074  -1.952  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1       -2.931  -1.202  -2.448  0.00  0.00    +0.022 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.618   1.280  -2.337  0.00  0.00    +0.225 C 
ATOM     22  N   LIG    1       -3.579   1.879  -1.583  0.00  0.00    -0.268 N 
ATOM     23  H   LIG    1       -3.873   2.779  -1.942  0.00  0.00    +0.156 HD
ATOM     24  O   LIG    1       -2.273   1.869  -3.369  0.00  0.00    -0.275 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -4.238   1.548  -0.427  0.00  0.00    +0.147 A 
ATOM     26  N   LIG    1       -5.108   2.451   0.041  0.00  0.00    -0.158 NA
ATOM     27  N   LIG    1       -5.608   1.898   1.157  0.00  0.00    -0.280 N 
ATOM     28  H   LIG    1       -6.300   2.414   1.689  0.00  0.00    +0.189 HD
ATOM     29  C   LIG    1       -5.087   0.671   1.418  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -4.200   0.406   0.404  0.00  0.00    +0.068 A 
BRANCH  29  31
ATOM     31  C   LIG    1       -5.453  -0.249   2.600  0.00  0.00    +0.037 C 
ATOM     32  C   LIG    1       -4.358  -0.742   3.507  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -5.334   0.284   4.003  0.00  0.00    +0.010 C 
ENDBRANCH  29  31
ENDBRANCH  22  25
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7