REMARK  Name = BDB014526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.598  -1.472   1.772  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.416  -2.553   0.933  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.073  -3.321   0.991  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.017  -0.400   1.611  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.584  -1.713   2.922  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -2.745  -0.889   2.883  0.00  0.00    -0.482 OA
BRANCH   6  16
ATOM      7  C   LIG    1       -2.801   3.521   0.302  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -3.643   2.324   0.216  0.00  0.00    -0.301 NA
ATOM      9  C   LIG    1       -3.046   1.234   1.020  0.00  0.00    +0.123 C 
ATOM     10  C   LIG    1       -3.748  -0.103   0.862  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -4.554  -0.357  -0.267  0.00  0.00    -0.038 A 
ATOM     12  C   LIG    1       -5.174  -1.607  -0.419  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.987  -2.611   0.535  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -4.176  -2.374   1.643  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.808   0.740  -1.275  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1       -3.538  -1.137   1.791  0.00  0.00    +0.126 A 
ATOM     17  C   LIG    1       -3.790   1.886  -1.180  0.00  0.00    +0.089 C 
ENDBRANCH   6  16
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.360  -2.442  -0.292  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.817  -2.899  -0.147  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.361  -3.164  -1.452  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        2.997  -2.431  -1.614  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.771  -1.942   0.610  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.475  -0.966  -0.264  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        2.592   0.172  -0.616  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        3.305   1.318  -1.307  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.696   1.475  -1.204  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        5.322   2.565  -1.824  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.568   3.504  -2.528  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.187   3.360  -2.621  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.512   0.437  -0.483  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        2.557   2.278  -2.007  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.662  -0.438   0.445  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8