REMARK  Name = BDB018262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.323   0.570  -1.114  0.00  0.00    +0.024 A 
ATOM      2  C   LIG    1       -1.472  -0.452  -1.478  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1       -0.475   0.121  -2.226  0.00  0.00    -0.264 N 
ATOM      4  N   LIG    1       -0.646   1.450  -2.399  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -1.759   1.719  -1.710  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.877   1.451   0.705  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -3.513   0.452  -0.315  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -4.348  -0.594  -0.484  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -5.514  -0.754   0.245  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -6.350  -1.913  -0.028  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -5.915   0.163   1.205  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -6.942   0.083   1.873  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -5.008   1.315   1.418  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -2.962   2.474   0.851  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.045   4.451   1.809  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.198   3.465   1.849  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        0.667  -0.584  -2.819  0.00  0.00    +0.134 C 
ATOM     18  C   LIG    1        1.194   0.067  -4.102  0.00  0.00    +0.038 C 
BRANCH  17  19
ATOM     19  C   LIG    1        1.773  -0.784  -1.793  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1        2.228  -2.074  -1.490  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        3.251  -2.269  -0.555  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.851  -1.184   0.102  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        3.394   0.105  -0.209  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        2.372   0.305  -1.143  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.927  -1.392   1.085  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        6.160  -0.730   0.960  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        7.183  -0.927   1.892  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.989  -1.791   2.966  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.775  -2.457   3.110  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.754  -2.259   2.176  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6