REMARK  Name = BDB019554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.602  -1.390   0.262  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.373  -1.183  -0.380  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.173   0.102  -0.490  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.525   1.199   0.032  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.758   1.018   0.679  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.279  -0.281   0.795  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.588  -2.449  -1.707  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -3.109  -3.253  -0.531  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -2.168  -2.737   0.377  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.771  -3.570   1.435  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.308  -4.847   1.557  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1       -3.231  -5.258   0.617  0.00  0.00    +0.213 A 
ATOM     13  F   LIG    1       -3.757  -6.485   0.732  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1       -3.644  -4.497  -0.415  0.00  0.00    -0.224 NA
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        1.478   0.250  -1.194  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        2.250   1.336  -0.840  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        2.015   1.861  -0.011  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        1.829  -0.591  -2.013  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.583   1.512  -1.370  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.613   0.955  -0.420  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        5.231   1.779   0.532  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        6.163   1.251   1.433  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        6.874   2.335   2.577  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.483  -0.110   1.390  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        7.622  -0.830   2.472  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.866  -0.938   0.449  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.934  -0.409  -0.447  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.520   2.192   1.248  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.916   3.134   0.217  0.00  0.00    -0.332 N 
ATOM     30  C   LIG    1       -2.443   4.408   0.077  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1       -3.001   5.017  -0.944  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1       -3.882   4.108  -1.470  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1       -3.853   2.932  -0.758  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6