REMARK  Name = BDB023037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.821  -1.885  -0.620  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.223  -2.903   0.367  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.208  -3.006  -0.124  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.513  -1.566  -0.528  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.279  -1.063  -1.101  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.293   2.836   1.190  0.00  0.00    -0.066 NA
ATOM      7  C   LIG    1        3.358   2.227   0.525  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.054   0.792   0.560  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.604  -0.352   1.193  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.861  -1.452   0.803  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.839  -1.021  -0.020  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        1.999   0.323  -0.187  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        1.264   1.138  -0.962  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        0.478   0.797  -1.514  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        1.607   2.464  -0.969  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        2.562   3.022  -0.294  0.00  0.00    -0.215 NA
BRANCH   6  17
ATOM     17  O   LIG    1        5.059   2.001   2.010  0.00  0.00    -0.408 OA
ATOM     18  H   LIG    1        5.703   2.627   2.389  0.00  0.00    +0.328 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.860  -4.181   0.328  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.545  -4.689   1.099  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.251  -3.855  -1.283  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -0.604  -4.573  -1.130  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -1.926  -0.673   0.671  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.369   0.718   0.256  0.00  0.00    -0.014 A 
ATOM     25  C   LIG    1       -3.508   0.909  -0.543  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -3.900   2.194  -0.914  0.00  0.00    +0.142 A 
ATOM     27  F   LIG    1       -4.992   2.334  -1.680  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1       -3.174   3.306  -0.498  0.00  0.00    +0.076 A 
ATOM     29 CL   LIG    1       -3.654   4.893  -0.958  0.00  0.00    -0.081 Cl
ATOM     30  C   LIG    1       -2.046   3.134   0.302  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -1.649   1.847   0.680  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -2.974  -1.294   1.415  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.468  -0.592   1.877  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7