REMARK  Name = BDB018109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.601  -1.538  -0.827  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        2.168  -3.011  -0.952  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        0.653  -3.175  -0.853  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1       -0.068  -2.326  -1.800  0.00  0.00    -0.300 N 
ATOM      5  C   LIG    1       -1.438  -2.413  -2.015  0.00  0.00    +0.241 C 
ATOM      6  O   LIG    1       -2.022  -1.709  -2.844  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1        0.708  -1.328  -2.531  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        1.661  -0.591  -1.595  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        2.680  -1.122   0.646  0.00  0.00    +0.168 C 
ATOM     10  O   LIG    1        2.154  -1.793   1.534  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  C   LIG    1        4.670   2.451   1.751  0.00  0.00    +0.214 A 
ATOM     12  N   LIG    1        4.812   2.017   0.480  0.00  0.00    -0.221 NA
ATOM     13  C   LIG    1        4.169   0.870   0.150  0.00  0.00    +0.126 A 
ATOM     14  C   LIG    1        3.388   0.132   1.030  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1        3.272   0.608   2.339  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        3.920   1.786   2.707  0.00  0.00    +0.068 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.042   4.239   1.123  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        5.290   3.613   2.160  0.00  0.00    -0.480 OA
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1       -2.226  -3.405  -1.146  0.00  0.00    +0.256 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.629  -3.323  -1.391  0.00  0.00    -0.363 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.359  -2.692  -0.357  0.00  0.00    +0.234 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.192  -1.183  -0.177  0.00  0.00    +0.136 A 
ATOM     23  N   LIG    1       -3.905  -0.451  -1.297  0.00  0.00    -0.308 N 
ATOM     24  H   LIG    1       -3.640  -0.929  -2.159  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -3.688   0.903  -1.275  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -3.303   1.539  -2.247  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -3.922   1.560   0.020  0.00  0.00    +0.070 A 
ATOM     28  C   LIG    1       -4.252   0.748   1.109  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1       -4.462   1.371   2.345  0.00  0.00    +0.152 A 
ATOM     30  C   LIG    1       -4.349   2.751   2.496  0.00  0.00    +0.079 A 
ATOM     31  C   LIG    1       -4.019   3.526   1.393  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1       -3.899   4.852   1.532  0.00  0.00    -0.205 F 
ATOM     33  F   LIG    1       -4.778   0.637   3.423  0.00  0.00    -0.203 F 
ATOM     34  C   LIG    1       -3.801   2.947   0.150  0.00  0.00    +0.054 A 
ATOM     35  N   LIG    1       -4.370  -0.649   0.989  0.00  0.00    -0.228 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7