REMARK  Name = BDB007588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.066   1.061   2.863  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        0.138   2.123   2.498  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        0.477   3.248   1.750  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.239   4.242   1.661  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.731   3.227   0.965  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        1.960   2.187   0.050  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        3.127   2.144  -0.716  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        4.017   3.223  -0.595  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        3.780   4.279   0.295  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        2.631   4.284   1.078  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1        3.385   1.169  -1.680  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1        4.374   1.097  -1.905  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.678  -0.115  -1.703  0.00  0.00    +0.075 C 
ATOM     14  C   LIG    1        3.199  -1.049  -0.614  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1        2.469  -2.388  -0.662  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1        1.836  -2.629  -1.921  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1        2.675  -2.279  -3.018  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1        2.866  -0.768  -3.079  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.235   2.001   2.995  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.311   1.868   1.899  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.603   1.728   2.513  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -4.261   1.832   1.804  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.058   0.721   0.886  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -1.733  -0.608   1.447  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -1.309  -1.547   0.389  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -2.432  -2.128  -0.441  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -3.748  -2.176   0.057  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -4.763  -2.752  -0.719  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.470  -3.297  -1.969  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.164  -3.270  -2.454  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.077  -1.558   1.394  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -2.148  -2.692  -1.693  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -2.824  -1.226   2.219  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8