REMARK  Name = BDB044065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.215  -1.089  -0.153  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -3.462   0.072  -0.189  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -2.108   0.189   0.025  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -1.808   1.539  -0.088  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -3.033   2.322  -0.394  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -3.163   3.515  -0.560  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -0.600   2.105   0.034  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -4.071   1.300  -0.443  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -5.425   1.436  -0.680  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -6.194   0.272  -0.663  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.597  -0.979  -0.403  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        0.672   1.421   0.310  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        0.769   0.264   1.087  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        2.015  -0.322   1.340  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        3.189   0.240   0.834  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        3.103   1.402   0.072  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        1.856   1.989  -0.182  0.00  0.00    +0.011 A 
BRANCH  15  18
ATOM     18  O   LIG    1        4.326  -0.443   1.158  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        5.586   0.045   0.691  0.00  0.00    +0.262 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.860  -0.464  -0.687  0.00  0.00    +0.181 C 
ATOM     21  O   LIG    1        7.250  -0.612  -1.007  0.00  0.00    -0.368 OA
ATOM     22  C   LIG    1        6.477  -1.819  -0.908  0.00  0.00    +0.195 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  26
ATOM     23  N   LIG    1       -4.349  -3.356   0.714  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -5.212  -3.139   1.190  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -3.862  -4.198   0.997  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -3.575  -2.397   0.118  0.00  0.00    +0.245 C 
ATOM     27  O   LIG    1       -2.405  -2.622  -0.154  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 5