REMARK  Name = BDB020145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.192  -0.082  -0.368  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.287  -0.795   0.837  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        2.471  -1.454   1.214  0.00  0.00    -0.043 A 
ATOM      4  C   LIG    1        3.562  -1.356   0.328  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        3.495  -0.635  -0.878  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1        2.298   0.007  -1.216  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -1.232  -0.008  -0.382  0.00  0.00    -0.304 N 
ATOM      8  H   LIG    1       -1.194  -0.951  -0.026  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1       -0.063   0.614  -0.758  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1       -0.015   1.661  -1.393  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -2.528   0.504  -0.775  0.00  0.00    +0.107 C 
BRANCH  11  18
ATOM     12  C   LIG    1       -5.633   2.146   2.856  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -5.032   1.015   2.079  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1       -5.430  -0.299   2.326  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -6.335  -0.555   3.282  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -4.902  -1.361   1.601  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -3.965  -1.116   0.597  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -3.557   0.197   0.304  0.00  0.00    -0.027 A 
ATOM     19  C   LIG    1       -4.101   1.255   1.058  0.00  0.00    +0.011 A 
ENDBRANCH  11  18
BRANCH  11  20
ATOM     20  C   LIG    1       -2.930  -0.105  -2.098  0.00  0.00    +0.014 C 
ATOM     21  C   LIG    1       -3.982   0.553  -2.959  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -2.545   0.566  -3.396  0.00  0.00    +0.006 C 
ENDBRANCH  11  20
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        2.621  -2.234   2.509  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1        2.021  -1.721   3.795  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1        1.453  -2.950   3.143  0.00  0.00    +0.009 C 
ENDBRANCH   3  23
BRANCH   5  26
ATOM     26  C   LIG    1        4.697  -0.542  -1.792  0.00  0.00    +0.161 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.255   0.790  -1.794  0.00  0.00    -0.295 N 
ATOM     28  C   LIG    1        5.118   1.676  -2.833  0.00  0.00    +0.296 A 
ATOM     29  N   LIG    1        4.551   1.520  -3.975  0.00  0.00    -0.250 NA
ATOM     30  H   LIG    1        4.651   2.413  -4.470  0.00  0.00    +0.191 HD
ATOM     31  O   LIG    1        5.710   2.893  -2.522  0.00  0.00    -0.431 OA
ATOM     32  C   LIG    1        6.183   2.641  -1.228  0.00  0.00    +0.217 A 
ATOM     33  C   LIG    1        5.925   1.416  -0.785  0.00  0.00    +0.129 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7