REMARK  Name = BDB021634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.811   0.358  -0.095  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        4.330  -0.801   0.525  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        3.003  -1.256   0.359  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        2.797  -2.400   1.074  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        1.494  -2.954   1.142  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.954  -3.267  -0.239  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        0.198  -2.132  -0.746  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.699  -0.838  -0.789  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.022   0.104  -1.126  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.129  -0.537  -0.463  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        2.620   0.637  -1.079  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.935   1.078  -0.901  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        9.280   2.429  -0.745  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        8.155   1.711  -0.198  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        8.272   1.116   1.002  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.074   0.555   1.189  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        6.183   0.789   0.114  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.928   1.544  -0.771  0.00  0.00    +0.116 A 
ENDBRANCH   1  17
BRANCH   7  19
ATOM     19  C   LIG    1       -1.177  -2.384  -1.197  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.198  -2.493  -0.052  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.409  -3.081  -0.558  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -4.034  -2.325  -0.634  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.551  -1.181   0.690  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.715  -0.473   0.097  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.436   0.264   1.163  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.555   1.143   0.650  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.567   1.589  -0.682  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.595   2.429  -1.128  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.594   2.847  -0.249  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.575   2.424   1.077  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.509   1.109  -1.641  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.560   1.579   1.526  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.292   0.500  -0.929  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 6