REMARK  Name = BDB032213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.200  -1.381   0.658  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1        1.614  -1.050  -0.510  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.351  -0.572  -0.442  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -0.360  -0.402   0.742  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1        0.279  -0.757   1.931  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.580  -1.250   1.890  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        3.495  -1.853   0.682  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        4.102  -2.084  -0.590  0.00  0.00    +0.234 C 
BRANCH   8  13
ATOM      9  C   LIG    1        6.262   2.103   0.814  0.00  0.00    +0.104 C 
ATOM     10  N   LIG    1        6.714   1.460  -0.419  0.00  0.00    -0.305 NA
ATOM     11  C   LIG    1        7.287   0.131  -0.172  0.00  0.00    +0.084 C 
ATOM     12  C   LIG    1        6.253  -0.949   0.160  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        5.165  -1.025  -0.921  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1        4.561   0.369  -1.140  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1        5.653   1.402  -1.433  0.00  0.00    +0.084 C 
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1       -1.773   0.113   0.734  0.00  0.00    +0.041 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.789  -1.026   0.610  0.00  0.00    +0.040 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.205  -0.507   0.594  0.00  0.00    -0.046 A 
ATOM     19  C   LIG    1       -4.825  -0.167  -0.616  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -6.137   0.341  -0.646  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -6.850   0.511   0.558  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -8.165   1.016   0.467  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1       -8.755   1.358  -0.694  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1       -8.039   1.188  -1.823  0.00  0.00    +0.113 A 
ATOM     25  C   LIG    1       -6.209   0.177   1.772  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -6.750   0.687  -1.853  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -4.905  -0.324   1.789  0.00  0.00    +0.004 A 
BRANCH  22  28
ATOM     28  N   LIG    1       -8.963   1.206   1.601  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -9.861   1.538   1.257  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -9.063   0.337   2.112  0.00  0.00    +0.144 HD
ENDBRANCH  22  28
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 7