REMARK  Name = BDB002461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.542   0.418   1.144  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        0.703  -0.697   1.058  0.00  0.00    +0.265 A 
ATOM      3  O   LIG    1        1.074  -1.840   1.306  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -0.637  -0.366   0.640  0.00  0.00    +0.111 A 
ATOM      5  C   LIG    1       -1.774  -1.149   0.416  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1       -2.797  -0.300  -0.000  0.00  0.00    +0.167 A 
ATOM      7  N   LIG    1       -2.305   1.010  -0.033  0.00  0.00    -0.277 N 
ATOM      8  N   LIG    1       -4.057  -0.719  -0.274  0.00  0.00    -0.225 NA
ATOM      9  C   LIG    1       -4.235  -2.041  -0.134  0.00  0.00    +0.092 A 
ATOM     10  C   LIG    1       -3.198  -2.916   0.272  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -3.469  -4.273   0.389  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.736  -4.792   0.118  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.753  -3.935  -0.279  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.492  -2.570  -0.400  0.00  0.00    +0.030 A 
ATOM     15  N   LIG    1       -1.962  -2.485   0.552  0.00  0.00    -0.241 NA
ATOM     16  C   LIG    1       -0.963   0.947   0.368  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1       -0.100   1.997   0.426  0.00  0.00    -0.219 NA
ATOM     18  C   LIG    1        1.101   1.686   0.804  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   7  19
ATOM     19  C   LIG    1       -3.043   2.188  -0.407  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.626   3.464   0.001  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.348   4.607  -0.363  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.496   4.493  -1.140  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.925   3.235  -1.552  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.205   2.091  -1.188  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   1  25
ATOM     25  C   LIG    1        2.934   0.217   1.525  0.00  0.00    +0.128 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.819  -0.032   0.307  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.260  -0.309   0.715  0.00  0.00    +0.161 C 
BRANCH  27  28
ATOM     28  O   LIG    1        6.034  -0.451  -0.474  0.00  0.00    -0.380 OA
BRANCH  28  30
ATOM     29  C   LIG    1        8.231   0.326   0.238  0.00  0.00    +0.034 C 
ATOM     30  C   LIG    1        7.384  -0.842  -0.232  0.00  0.00    +0.156 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 6