REMARK  Name = BDB036190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.488   0.681  -0.097  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -2.174   1.111  -1.480  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.987   0.330  -2.088  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.259   0.342  -1.290  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.030   0.482   0.157  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.407  -0.086   0.568  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.212  -1.065   0.540  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -5.858   0.002   1.308  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -4.637   0.553   1.070  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -4.274   1.736   1.924  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -3.746   0.080   0.086  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -4.162  -1.023  -0.673  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.407  -1.604  -0.451  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.603  -1.388   2.174  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.245  -1.054   1.846  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.806  -0.225   2.240  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.562  -1.658   0.812  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -7.999  -2.591   0.149  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.200   1.366  -1.767  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.584   1.221  -1.180  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.467   0.255  -1.674  0.00  0.00    +0.133 A 
ATOM     22  F   LIG    1        3.092  -0.520  -2.703  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.744   0.083  -1.133  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        5.674  -0.948  -1.694  0.00  0.00    +0.121 C 
ATOM     25  C   LIG    1        6.749  -1.308  -0.712  0.00  0.00    +0.187 C 
ATOM     26  C   LIG    1        7.219  -0.187   0.178  0.00  0.00    +0.152 C 
ATOM     27  N   LIG    1        6.446   0.819   0.475  0.00  0.00    -0.242 NA
ATOM     28  O   LIG    1        7.257  -2.416  -0.621  0.00  0.00    -0.290 OA
ATOM     29  C   LIG    1        5.164   0.906  -0.085  0.00  0.00    +0.071 A 
ATOM     30  C   LIG    1        4.293   1.879   0.411  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        3.012   2.035  -0.125  0.00  0.00    +0.010 A 
BRANCH  26  32
ATOM     32  C   LIG    1        8.623  -0.316   0.720  0.00  0.00    +0.291 C 
ATOM     33  F   LIG    1        9.490  -0.802  -0.214  0.00  0.00    -0.199 F 
ATOM     34  F   LIG    1        9.136   0.902   1.075  0.00  0.00    -0.199 F 
ATOM     35  C   LIG    1        8.670  -1.203   1.948  0.00  0.00    +0.092 C 
ENDBRANCH  26  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5