REMARK  Name = BDB034760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.344  -4.293  -0.137  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        1.056  -2.940  -0.513  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.178  -2.300  -0.358  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.056  -1.003  -0.854  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.117  -0.119  -0.840  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.343  -0.558  -0.307  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -2.443  -1.876   0.199  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        1.259  -0.839  -1.313  0.00  0.00    -0.290 N 
ATOM      9  C   LIG    1       -1.359  -2.764   0.173  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        1.970  -2.046  -1.114  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        3.133  -2.278  -1.399  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -3.414   0.361  -0.251  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -3.402   1.020  -1.027  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.555   0.419   0.582  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -5.779   0.935   0.115  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -6.867   0.924   0.977  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -8.422   1.524   0.540  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -6.834   0.450   2.242  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -5.657  -0.038   2.674  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -4.514  -0.077   1.892  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.899   1.458  -1.209  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -5.926   1.887  -2.287  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1        1.825   0.372  -1.861  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.152   1.443  -0.790  0.00  0.00    +0.080 C 
ATOM     25  N   LIG    1        3.312   1.060   0.041  0.00  0.00    -0.287 NA
ATOM     26  C   LIG    1        4.250   2.190   0.073  0.00  0.00    +0.122 C 
ATOM     27  C   LIG    1        4.028   2.892  -1.255  0.00  0.00    +0.182 C 
ATOM     28  F   LIG    1        4.658   2.221  -2.254  0.00  0.00    -0.244 F 
ATOM     29  C   LIG    1        2.534   2.777  -1.454  0.00  0.00    +0.059 C 
BRANCH  25  30
ATOM     30  C   LIG    1        2.952   0.546   1.380  0.00  0.00    +0.198 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.089   0.106   2.325  0.00  0.00    +0.402 C 
ATOM     32  F   LIG    1        4.868   1.155   2.681  0.00  0.00    -0.169 F 
ATOM     33  F   LIG    1        3.569  -0.404   3.469  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1        4.882  -0.840   1.784  0.00  0.00    -0.169 F 
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7