REMARK  Name = BDB003382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.073  -0.582  -0.200  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.103  -2.081  -0.389  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        0.838  -2.852  -0.553  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -1.462  -2.630  -0.451  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.541  -1.835  -0.111  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.840  -2.360  -0.135  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -4.051  -3.684  -0.521  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.966  -4.486  -0.872  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.311  -0.456   0.321  0.00  0.00    +0.214 C 
ATOM     10  O   LIG    1       -3.172   0.095   0.996  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -1.672  -3.963  -0.833  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.019   0.208  -0.009  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1       -0.935   1.626  -0.011  0.00  0.00    -0.207 N 
ATOM     14  C   LIG    1       -1.948   2.584  -0.228  0.00  0.00    +0.095 A 
ATOM     15  C   LIG    1       -1.307   3.811  -0.081  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1       -2.026   5.010  -0.200  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1       -3.389   4.953  -0.502  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.016   3.725  -0.694  0.00  0.00    +0.002 A 
ATOM     19  N   LIG    1        0.017   3.619   0.139  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1       -3.310   2.520  -0.573  0.00  0.00    +0.030 A 
ATOM     21  N   LIG    1        0.251   2.322   0.102  0.00  0.00    -0.059 NA
ENDBRANCH  12  13
BRANCH   1  22
ATOM     22  N   LIG    1        1.375  -0.101  -0.404  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        1.409   0.922  -0.497  0.00  0.00    +0.152 HD
BRANCH  22  26
ATOM     24  C   LIG    1        4.959  -0.335   0.557  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1        3.774  -0.001  -0.113  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        2.532  -0.483   0.331  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        2.506  -1.313   1.459  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        3.684  -1.649   2.132  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        4.909  -1.161   1.683  0.00  0.00    +0.015 A 
BRANCH  24  31
ATOM     30  O   LIG    1        7.352  -0.090   0.631  0.00  0.00    -0.245 OA
ATOM     31  C   LIG    1        6.282   0.160   0.108  0.00  0.00    +0.337 C 
BRANCH  31  32
ATOM     32  O   LIG    1        6.206   0.953  -0.975  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        7.138   1.198  -1.151  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5