REMARK  Name = BDB021465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.152   1.671  -1.151  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.749   0.762  -0.559  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.015  -0.077   0.279  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.502  -1.350   0.781  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        1.838  -1.201   1.471  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.877  -1.383   0.527  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        3.119  -0.335  -0.313  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        4.473  -0.325  -0.720  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        4.972   0.644  -1.585  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1        4.106   1.623  -2.048  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        2.760   1.610  -1.669  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.227   0.627  -0.802  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.443   0.140   0.359  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.225  -0.555  -0.774  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -1.796  -0.093  -2.067  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -1.254   0.713  -1.933  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -3.755  -0.346  -0.693  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.377  -0.877   0.540  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -5.678  -1.509   0.239  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -6.769  -0.501  -0.027  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -6.892   0.565   0.879  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -7.908   1.508   0.718  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -8.787   1.399  -0.360  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -8.661   0.344  -1.266  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.924   0.593   2.029  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -7.657  -0.610  -1.099  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.504   0.166   1.591  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        6.259   0.759  -2.025  0.00  0.00    -0.487 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.162  -0.326  -1.790  0.00  0.00    +0.266 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.840  -0.252  -0.449  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        8.269  -1.415   0.185  0.00  0.00    +0.117 A 
ATOM     32  N   LIG    1        8.909  -1.442   1.375  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1        9.148  -0.250   1.963  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1        8.779   0.966   1.413  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        8.121   0.962   0.186  0.00  0.00    +0.010 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 8