REMARK  Name = BDB065399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.031  -1.584   0.125  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1        0.862  -1.137   1.381  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        2.061  -0.840   1.862  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1        2.992  -1.113   0.890  0.00  0.00    +0.103 A 
ATOM      5  C   LIG    1        2.345  -1.597  -0.227  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.111  -1.984  -0.669  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -0.767  -0.791  -1.361  0.00  0.00    +0.024 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -1.967  -1.179  -2.232  0.00  0.00    +0.006 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.158  -1.779  -1.473  0.00  0.00    +0.035 C 
BRANCH   9  13
ATOM     10  C   LIG    1       -4.893   0.919   1.409  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -5.074   1.151   0.041  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.511   0.275  -0.889  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.772  -0.838  -0.464  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1       -3.614  -1.069   0.911  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.177  -0.197   1.845  0.00  0.00    +0.015 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -6.044   1.433   3.425  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -5.478   1.825   2.421  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -5.281   3.128   2.128  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -4.662   3.282   1.389  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  C   LIG    1        4.440  -0.873   1.126  0.00  0.00    +0.185 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.834   0.406   0.533  0.00  0.00    -0.295 N 
ATOM     22  C   LIG    1        5.343   0.410  -0.758  0.00  0.00    +0.330 A 
ATOM     23  O   LIG    1        5.499  -0.598  -1.444  0.00  0.00    -0.246 OA
ATOM     24  N   LIG    1        5.675   1.643  -1.258  0.00  0.00    -0.275 N 
ATOM     25  H   LIG    1        6.046   1.668  -2.194  0.00  0.00    +0.173 HD
ATOM     26  C   LIG    1        5.501   2.839  -0.625  0.00  0.00    +0.254 A 
ATOM     27  O   LIG    1        5.787   3.914  -1.138  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1        4.933   2.770   0.730  0.00  0.00    +0.088 A 
ATOM     29  C   LIG    1        4.628   1.575   1.240  0.00  0.00    +0.096 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9