REMARK  Name = BDB007062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.103   0.592   0.415  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1        1.206   0.039  -0.586  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1        2.509  -0.457  -0.510  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1        2.947  -0.987   0.717  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        4.256  -1.483   0.786  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        5.071  -1.440  -0.339  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.550  -0.901  -1.501  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        2.079  -1.012   1.819  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.780  -0.507   1.708  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        3.294  -0.412  -1.609  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        0.319   0.041   0.501  0.00  0.00    +0.021 A 
BRANCH   2  12
ATOM     12  O   LIG    1        0.788   0.521  -1.809  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        1.571   0.393  -2.390  0.00  0.00    +0.292 HD
ENDBRANCH   2  12
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1       -1.146   2.121   0.277  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1       -1.014   2.971   1.395  0.00  0.00    +0.049 A 
ATOM     16 CL   LIG    1       -0.837   2.369   3.007  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -1.034   4.363   1.251  0.00  0.00    +0.058 A 
ATOM     18  C   LIG    1       -1.185   4.921  -0.009  0.00  0.00    +0.125 A 
ATOM     19  F   LIG    1       -1.203   6.254  -0.142  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -1.317   4.120  -1.131  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -1.297   2.731  -0.989  0.00  0.00    +0.010 A 
ENDBRANCH   1  14
BRANCH   1  22
ATOM     22  N   LIG    1       -1.858  -0.057  -0.672  0.00  0.00    -0.318 N 
ATOM     23  H   LIG    1       -1.240  -0.141  -1.484  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.277  -1.362  -0.425  0.00  0.00    +0.120 A 
ATOM     25  N   LIG    1       -1.804  -2.300  -1.268  0.00  0.00    -0.238 NA
ATOM     26  C   LIG    1       -2.202  -3.580  -1.068  0.00  0.00    +0.151 A 
ATOM     27  C   LIG    1       -3.069  -3.963  -0.063  0.00  0.00    +0.142 A 
ATOM     28  F   LIG    1       -3.426  -5.244   0.084  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1       -3.568  -2.993   0.787  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -3.171  -1.670   0.600  0.00  0.00    +0.046 A 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5