REMARK  Name = BDB058675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.843  -1.343  -2.622  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        2.547  -0.540  -1.582  0.00  0.00    +0.046 C 
ATOM      3  C   LIG    1        1.927   0.668  -0.936  0.00  0.00    +0.123 C 
ATOM      4  C   LIG    1        3.054   1.102  -0.027  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        3.020   2.090   0.690  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        4.063   0.146  -0.224  0.00  0.00    -0.160 N 
ATOM      7  N   LIG    1        3.741  -0.817  -1.160  0.00  0.00    -0.181 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        5.333   0.080   0.403  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        5.737   1.015   1.366  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        6.997   0.929   1.971  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        7.880  -0.089   1.610  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        7.491  -1.045   0.668  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        6.229  -0.953   0.070  0.00  0.00    +0.026 A 
BRANCH  11  14
ATOM     14  C   LIG    1        9.205  -0.149   2.267  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1        9.375   0.082   3.451  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  O   LIG    1       10.204  -0.440   1.408  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1        9.945  -0.427   0.467  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   6   8
BRANCH   3  18
ATOM     18  C   LIG    1        0.667   0.336  -0.138  0.00  0.00    +0.028 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.605   0.653  -0.929  0.00  0.00    +0.097 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.869   0.255  -0.179  0.00  0.00    +0.217 C 
ATOM     21  N   LIG    1       -3.006   0.666  -0.853  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1       -2.848   1.156  -1.735  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -1.828  -0.370   0.873  0.00  0.00    -0.275 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.370   0.492  -0.493  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1       -5.413   0.965  -1.320  0.00  0.00    +0.148 A 
ATOM     26  C   LIG    1       -6.763   0.790  -0.954  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -7.107   0.142   0.239  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1       -8.559  -0.028   0.600  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -6.082  -0.333   1.073  0.00  0.00    -0.046 A 
ATOM     30  C   LIG    1       -6.391  -1.035   2.370  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -4.735  -0.152   0.697  0.00  0.00    +0.029 A 
BRANCH  25  32
ATOM     32  N   LIG    1       -5.145   1.657  -2.594  0.00  0.00    +0.058 N 
ATOM     33  O   LIG    1       -3.963   1.784  -2.955  0.00  0.00    -0.126 OA
ATOM     34  O   LIG    1       -6.112   2.078  -3.244  0.00  0.00    -0.126 OA
ENDBRANCH  25  32
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8