REMARK  Name = BDB019670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.146  -1.641   0.212  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.090  -1.171   0.683  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.401   0.196   0.670  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.543   1.116   0.201  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.789   0.677  -0.274  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -2.072  -0.699  -0.269  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -4.167  -5.448   1.431  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -2.913  -4.925   0.797  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -2.081  -5.827   0.231  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1       -0.948  -5.356  -0.328  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -0.601  -4.015  -0.357  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.463  -3.079   0.221  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1       -2.641  -3.558   0.810  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1        1.733   0.618   1.189  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        2.235   1.808   0.707  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        1.796   2.242  -0.091  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.341  -0.100   1.976  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.568   2.253   1.047  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.544   1.889  -0.041  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1        4.889   2.814  -1.038  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        5.776   2.453  -2.057  0.00  0.00    +0.044 A 
ATOM     22 CL   LIG    1        6.187   3.601  -3.271  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        6.323   1.175  -2.102  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1        5.973   0.259  -1.119  0.00  0.00    +0.125 A 
ATOM     25  F   LIG    1        6.489  -0.976  -1.160  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        5.093   0.599  -0.097  0.00  0.00    +0.043 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -2.806   1.666  -0.797  0.00  0.00    +0.151 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.107   2.653   0.225  0.00  0.00    -0.352 N 
ATOM     29  H   LIG    1       -3.286   2.203   1.121  0.00  0.00    +0.163 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.058   3.592   0.040  0.00  0.00    +0.188 C 
ATOM     31  N   LIG    1       -4.934   3.806   0.951  0.00  0.00    -0.269 NA
ATOM     32  H   LIG    1       -5.583   4.532   0.644  0.00  0.00    +0.190 HD
BRANCH  30  33
ATOM     33  N   LIG    1       -3.999   4.264  -1.123  0.00  0.00    -0.370 N 
ATOM     34  H   LIG    1       -4.539   5.120  -1.143  0.00  0.00    +0.159 HD
ATOM     35  H   LIG    1       -3.046   4.435  -1.423  0.00  0.00    +0.159 HD
ENDBRANCH  30  33
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8