REMARK  Name = BDB003800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.459  -0.108  -0.207  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1        1.563  -0.796  -1.032  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        0.179  -0.661  -0.859  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.337   0.169   0.143  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.566   0.859   0.962  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.950   0.722   0.791  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.766   0.333   0.351  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1       -2.312   1.263   1.201  0.00  0.00    -0.129 NA
ATOM      9  N   LIG    1       -3.632   1.151   1.154  0.00  0.00    -0.064 NA
ATOM     10  N   LIG    1       -3.920   0.160   0.292  0.00  0.00    -0.239 N 
ATOM     11  C   LIG    1       -2.785  -0.391  -0.230  0.00  0.00    +0.139 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.302  -0.246   0.060  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1       -5.953   0.748  -0.901  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -5.380   1.178  -1.902  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -7.255   1.122  -0.663  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -7.528   1.899  -1.257  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -8.310   0.248  -0.594  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -9.403   0.573  -1.055  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -8.060  -1.147  -0.071  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -7.357  -1.202   1.277  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -6.061  -0.397   1.387  0.00  0.00    +0.037 C 
ENDBRANCH  10  12
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  C   LIG    1        4.893   0.247   0.216  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        3.829  -0.298  -0.445  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        4.102  -0.914  -1.198  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        4.871   1.017   1.161  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        6.023  -0.225  -0.371  0.00  0.00    -0.444 OA
BRANCH  26  28
ATOM     27  C   LIG    1        8.323  -0.565  -0.810  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        7.335   0.175   0.106  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1        7.553   1.683  -0.058  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        7.568  -0.286   1.549  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 5