REMARK  Name = BDB024864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.953   2.364   0.890  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.215   1.180   0.709  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.938  -0.056   0.340  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.122  -0.150  -1.180  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -4.288  -1.301   0.935  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.856  -1.426   0.471  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.106  -0.140   0.672  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.693  -0.174   0.726  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.147  -1.256   0.622  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.374  -0.794   0.747  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1        1.353   0.577   0.896  0.00  0.00    -0.319 N 
ATOM     12  C   LIG    1        0.038   0.990   0.900  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -0.574   2.233   1.027  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -1.975   2.264   0.960  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.767   1.114   0.785  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -4.523   3.452   1.254  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -7.087   3.362   0.784  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1       -6.284   2.192   0.616  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1        2.503   1.456   0.977  0.00  0.00    +0.219 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.128   1.656  -0.388  0.00  0.00    +0.234 C 
ATOM     21  N   LIG    1        2.426   2.478  -1.243  0.00  0.00    -0.301 N 
ATOM     22  H   LIG    1        1.442   2.644  -1.053  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1        4.188   1.125  -0.709  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.871   2.639  -2.618  0.00  0.00    +0.223 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.158   3.728  -3.302  0.00  0.00    +0.081 C 
ATOM     26  N   LIG    1        1.577   4.588  -3.822  0.00  0.00    -0.195 NA
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1        2.606  -1.643   0.718  0.00  0.00    +0.096 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.854  -2.212  -0.682  0.00  0.00    +0.132 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.133  -2.922  -0.766  0.00  0.00    -0.315 N 
ATOM     30  C   LIG    1        4.185  -4.254  -0.352  0.00  0.00    +0.251 A 
ATOM     31  O   LIG    1        3.229  -4.893   0.078  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1        5.517  -4.913  -0.444  0.00  0.00    +0.070 A 
ATOM     33  C   LIG    1        6.582  -4.226  -0.875  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1        6.454  -2.843  -1.254  0.00  0.00    +0.018 A 
ATOM     35  C   LIG    1        5.261  -2.240  -1.192  0.00  0.00    +0.089 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 8