REMARK  Name = BDB021475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.799  -2.598  -1.643  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.370  -2.469  -0.491  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        1.138  -2.916   0.578  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.788  -2.706   1.974  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -0.608  -3.218   2.250  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -1.557  -2.181   2.083  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -1.757  -1.688   0.828  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1       -2.962  -0.956   0.773  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1       -3.416  -0.345  -0.395  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -2.648  -0.457  -1.540  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -1.442  -1.167  -1.497  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.962  -1.793  -0.319  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        2.495  -3.417   0.307  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.617  -2.373   0.464  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1        3.731  -1.962   1.836  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1        4.202  -1.102   1.794  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1        3.439  -1.123  -0.425  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        4.485  -0.102  -0.151  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        5.801  -0.528  -0.678  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        6.863   0.551  -0.615  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        6.512   1.907  -0.505  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        7.514   2.887  -0.477  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        8.856   2.525  -0.584  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        9.207   1.184  -0.712  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.065   2.297  -0.355  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        8.217   0.201  -0.731  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.108   1.177  -0.782  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  O   LIG    1       -4.605   0.314  -0.277  0.00  0.00    -0.492 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.122   0.947  -1.447  0.00  0.00    +0.232 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.469   1.618  -1.123  0.00  0.00    +0.027 C 
ATOM     31  C   LIG    1       -6.280   2.786  -0.135  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -7.597   3.174   0.524  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -8.177   2.027   1.353  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -7.732   0.644   0.876  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -7.522   0.601  -0.633  0.00  0.00    +0.007 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 8