REMARK  Name = BDB002495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.694  -2.878   0.497  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -0.118  -1.813   0.699  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1       -0.648  -0.544   0.556  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1        0.026   0.196   0.742  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.933  -0.172   0.129  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.197   1.200   0.021  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -3.452   1.652  -0.395  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.457   0.735  -0.691  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1       -4.198  -0.634  -0.608  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -2.940  -1.084  -0.190  0.00  0.00    +0.027 A 
BRANCH   8  11
ATOM     11  O   LIG    1       -5.659   1.245  -1.127  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -6.808   0.694  -0.607  0.00  0.00    +0.128 A 
ATOM     13  C   LIG    1       -7.831   0.397  -1.508  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -9.036  -0.132  -1.042  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -9.220  -0.347   0.325  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.204  -0.028   1.227  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -6.999   0.501   0.763  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1        1.327  -1.786   1.226  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.010  -0.508   0.891  0.00  0.00    -0.291 NA
ATOM     20  C   LIG    1        2.385  -0.455  -0.551  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        3.896  -0.564  -0.862  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1        4.635   0.475  -0.132  0.00  0.00    -0.313 N 
ATOM     23  C   LIG    1        4.203   0.726   1.252  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        3.211  -0.353   1.746  0.00  0.00    +0.104 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.997   0.558  -0.417  0.00  0.00    +0.121 A 
ATOM     26  N   LIG    1        6.553  -0.368  -1.231  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        7.871  -0.273  -1.517  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        8.696   0.725  -1.035  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        8.129   1.686  -0.215  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        6.771   1.603   0.091  0.00  0.00    +0.043 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6