REMARK  Name = BDB027591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.884  -1.152   0.884  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.067  -0.040   0.970  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.302  -0.167   1.460  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.890   1.248   1.351  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.652   2.120   1.598  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.473   1.358   0.907  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.523  -2.279   1.213  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.913  -0.680  -0.495  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        3.851  -0.212  -1.272  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.530  -0.364  -0.833  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.269  -0.971   0.396  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.322  -1.463   1.169  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.639  -1.307   0.728  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.764  -0.119  -2.074  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        6.268  -0.546  -0.863  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        6.943  -0.888  -0.194  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.132   0.112  -3.099  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.039   0.305  -1.097  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.251  -0.039  -2.126  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.413   1.535   0.014  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.800   1.280  -0.755  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.635   0.950  -0.285  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -4.532   0.717   0.680  0.00  0.00    -0.212 NA
ATOM     24  C   LIG    1       -5.708   0.155   0.343  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -6.006  -0.184  -0.979  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -7.242  -0.766  -1.331  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -8.201  -1.014  -0.353  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.921  -0.689   0.969  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1       -5.002   0.086  -1.893  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.690  -0.117   1.297  0.00  0.00    +0.149 A 
ATOM     31  F   LIG    1       -6.461   0.172   2.589  0.00  0.00    -0.203 F 
ATOM     32  N   LIG    1       -3.820   0.641  -1.570  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5