REMARK  Name = BDB023061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.884  -2.071   0.513  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.934  -2.021   2.051  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -2.067  -1.042   2.315  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.994  -1.344   1.151  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -2.130  -1.516   0.005  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.773  -0.363  -1.024  0.00  0.00    -0.066 NA
ATOM      7  C   LIG    1        3.833  -1.094  -0.502  0.00  0.00    +0.182 A 
ATOM      8  C   LIG    1        2.392  -0.855  -0.516  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        1.552   0.155  -1.049  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.248  -0.174  -0.739  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        0.258  -1.348  -0.031  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1        1.556  -1.776   0.112  0.00  0.00    +0.148 A 
ATOM     13  N   LIG    1        1.895  -2.918   0.779  0.00  0.00    -0.220 NA
ATOM     14  C   LIG    1        3.184  -3.094   0.763  0.00  0.00    +0.200 A 
ATOM     15  N   LIG    1        4.102  -2.261   0.174  0.00  0.00    -0.328 N 
ATOM     16  H   LIG    1        5.082  -2.497   0.223  0.00  0.00    +0.168 HD
BRANCH   6  17
ATOM     17  O   LIG    1        4.289   0.781  -1.665  0.00  0.00    -0.392 OA
BRANCH  17  19
ATOM     18  C   LIG    1        4.859   2.746  -2.893  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        5.392   1.508  -2.201  0.00  0.00    +0.259 C 
ENDBRANCH  17  19
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1       -1.296  -3.299   2.614  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -0.531  -3.888   2.458  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -2.682  -1.251   3.578  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -2.546  -2.202   3.780  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -4.110  -0.316   0.883  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.661   1.123   0.730  0.00  0.00    -0.015 A 
ATOM     26  C   LIG    1       -3.198   1.627  -0.496  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -2.766   2.953  -0.614  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1       -2.196   3.478  -2.159  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -2.797   3.797   0.500  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1       -2.276   5.442   0.433  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -3.261   3.310   1.724  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -3.689   1.985   1.838  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
BRANCH  24  33
ATOM     33  O   LIG    1       -4.833  -0.701  -0.296  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1       -4.194  -1.171  -0.864  0.00  0.00    +0.210 HD
ENDBRANCH  24  33
ENDBRANCH   4  24
TORSDOF 8