REMARK  Name = BDB027584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.780  -2.380   2.902  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.937  -2.263   2.158  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        2.122  -1.522   0.915  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.632  -1.224   0.850  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        4.215  -2.429   1.594  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        3.218  -2.644   2.721  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.768  -2.787   4.062  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -3.421   0.250   3.275  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1       -2.574  -0.693   2.463  0.00  0.00    -0.029 A 
ATOM     10  C   LIG    1       -2.979  -1.182   1.199  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -2.139  -2.071   0.515  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -0.914  -2.473   1.058  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -0.504  -1.969   2.290  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -1.338  -1.101   2.998  0.00  0.00    +0.018 A 
BRANCH  10  15
ATOM     15  N   LIG    1       -4.220  -0.756   0.671  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -4.761  -0.135   1.254  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -4.809  -1.132  -0.515  0.00  0.00    +0.241 C 
ATOM     18  O   LIG    1       -4.410  -1.956  -1.328  0.00  0.00    -0.271 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -6.121  -0.475  -0.768  0.00  0.00    +0.064 C 
ATOM     20  C   LIG    1       -6.387   0.814  -0.495  0.00  0.00    -0.007 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -7.706   1.468  -0.802  0.00  0.00    +0.111 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -7.663   2.564  -1.770  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1       -7.226   2.134  -3.096  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -6.907   3.723  -1.309  0.00  0.00    +0.104 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  19
ENDBRANCH  10  15
ENDBRANCH   1  13
BRANCH   4  25
ATOM     25  N   LIG    1        4.100  -1.146  -0.526  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1        3.459  -0.726  -1.192  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.294  -0.463  -0.712  0.00  0.00    +0.216 A 
ATOM     28  N   LIG    1        5.384   0.215  -1.863  0.00  0.00    -0.215 NA
ATOM     29  C   LIG    1        6.517   0.889  -2.111  0.00  0.00    +0.076 A 
ATOM     30  C   LIG    1        7.583   0.914  -1.211  0.00  0.00    +0.019 A 
ATOM     31  C   LIG    1        8.763   1.631  -1.493  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1        8.878   2.330  -2.691  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.823   2.313  -3.597  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        7.379   0.191  -0.049  0.00  0.00    +0.124 A 
ATOM     35  C   LIG    1        6.659   1.596  -3.300  0.00  0.00    +0.028 A 
ATOM     36  N   LIG    1        6.252  -0.493   0.221  0.00  0.00    -0.222 NA
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 7