REMARK  Name = BDB012929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.157  -0.524   1.257  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.126  -0.836   0.343  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.165  -1.296   0.777  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.109  -0.876  -0.358  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.190  -1.152  -1.571  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.182  -0.778  -1.076  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.871  -0.648   2.499  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.639   0.535   1.177  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.356   0.515  -0.120  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        4.075   0.144  -0.291  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.667   0.074  -1.238  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.478  -0.090   0.864  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.491   0.164   1.824  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.184   2.360   1.592  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        6.957   0.881   1.821  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        8.073   0.026   1.309  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.261  -1.586  -0.345  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -1.524  -2.748  -0.425  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -3.422  -2.303  -0.332  0.00  0.00    +0.248 C 
ATOM     20  O   LIG    1       -3.458  -3.580  -0.348  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.752  -1.645  -0.302  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1       -4.926  -0.284  -0.300  0.00  0.00    +0.133 A 
ATOM     23  C   LIG    1       -6.232   0.235  -0.261  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -7.323  -0.613  -0.227  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.166  -1.970  -0.229  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.887  -2.449  -0.266  0.00  0.00    +0.017 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -3.861   0.541  -0.331  0.00  0.00    -0.489 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -3.794   1.918  -0.373  0.00  0.00    +0.257 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.343   2.460  -1.662  0.00  0.00    +0.196 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -4.247   3.876  -1.638  0.00  0.00    -0.392 OA
ATOM     31  H   LIG    1       -4.894   4.216  -0.989  0.00  0.00    +0.210 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 8