REMARK  Name = BDB019133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.683  -1.346  -0.086  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -1.448   0.036   0.160  0.00  0.00    +0.090 A 
ATOM      3  N   LIG    1       -0.132   0.401   0.371  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.110   1.764   0.502  0.00  0.00    +0.207 A 
ATOM      5  N   LIG    1       -1.315   2.284   0.451  0.00  0.00    -0.230 NA
ATOM      6  C   LIG    1        0.938  -0.518   0.413  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.697  -1.783   0.194  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -2.180   1.210   0.261  0.00  0.00    +0.152 A 
ATOM      9  C   LIG    1       -0.604  -2.159  -0.065  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.380  -2.870   1.875  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -3.760  -2.707   0.431  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -2.972  -1.961  -0.459  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -3.424  -1.830  -1.779  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.613  -2.437  -2.170  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.311  -3.170  -1.229  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -4.909  -3.328   0.050  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   8  17
ATOM     17  C   LIG    1       -3.645   1.348   0.242  0.00  0.00    +0.267 C 
ATOM     18  N   LIG    1       -4.196   2.462  -0.406  0.00  0.00    -0.302 N 
ATOM     19  C   LIG    1       -5.604   2.755  -0.208  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -3.412   3.482  -1.083  0.00  0.00    +0.132 C 
ATOM     21  O   LIG    1       -4.354   0.514   0.804  0.00  0.00    -0.268 OA
ENDBRANCH   8  17
BRANCH   6  22
ATOM     22  N   LIG    1        2.209  -0.053   0.681  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        2.276   0.790   1.241  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.294  -0.981   0.955  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.597  -0.236   0.949  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.180   0.229  -0.226  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.694   0.161  -1.626  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        5.970   0.590  -2.351  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        6.798   1.348  -1.439  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        6.370   0.946  -0.201  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        7.031   1.236   0.975  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        6.469   0.774   2.166  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        5.269   0.050   2.144  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        4.749  -0.358   3.310  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5