REMARK  Name = BDB027588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.093   1.299   0.823  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.450   0.632  -0.201  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.846   1.096  -0.681  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.171   0.159  -1.848  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.500  -1.152  -1.443  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.782  -0.671  -0.769  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.620   2.288   1.377  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        4.679   0.074   0.886  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        3.452   0.538   0.410  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        2.401   0.790   1.301  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        2.585   0.628   2.677  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.811   0.176   3.159  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        4.849  -0.103   2.267  0.00  0.00    +0.023 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.831  -0.178  -1.316  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        5.779  -0.232   0.058  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        6.628  -0.501   0.536  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        4.944   0.176  -2.084  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        7.966  -1.503  -1.400  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.151  -0.561  -1.892  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  N   LIG    1       -2.567   0.035  -2.237  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -2.903   0.778  -2.842  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.554  -0.127  -1.285  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -4.716   0.475  -1.573  0.00  0.00    -0.215 NA
ATOM     24  C   LIG    1       -5.723   0.363  -0.695  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1       -5.595  -0.350   0.498  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -6.666  -0.452   1.409  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -7.880   0.166   1.122  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -8.020   0.880  -0.064  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.355  -0.929   0.697  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.945   0.971  -0.956  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1       -3.333  -0.831  -0.172  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5