REMARK  Name = BDB047047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.099  -3.752   0.363  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.476  -2.813  -0.467  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.844  -1.449  -0.424  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.383  -0.286  -1.113  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -1.137   0.789  -0.649  0.00  0.00    +0.028 A 
ATOM      6  N   LIG    1       -2.082   0.312   0.268  0.00  0.00    -0.280 N 
ATOM      7  C   LIG    1       -3.113   1.051   0.908  0.00  0.00    +0.263 C 
ATOM      8  O   LIG    1       -3.506   0.670   2.010  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -0.960   2.236  -0.981  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -1.850  -1.054   0.457  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -2.488  -1.993   1.292  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.096  -3.337   1.236  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -3.791   2.236   0.336  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -4.050   3.338   1.160  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -4.720   4.449   0.644  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -5.143   4.447  -0.686  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -5.967   5.817  -1.321  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -4.910   3.340  -1.502  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -4.240   2.226  -0.990  0.00  0.00    +0.015 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -1.203  -6.019   1.071  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -0.640  -5.033   0.215  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  C   LIG    1        0.708  -0.244  -2.147  0.00  0.00    +0.072 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.027  -0.444  -1.435  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        2.523   0.501  -0.523  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.753   0.321   0.121  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1        4.513  -0.810  -0.167  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        4.042  -1.754  -1.082  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.811  -1.572  -1.712  0.00  0.00    +0.004 A 
BRANCH  25  29
ATOM     29  O   LIG    1        4.091   1.325   0.985  0.00  0.00    -0.481 OA
BRANCH  29  30
ATOM     30  C   LIG    1        5.191   1.113   1.858  0.00  0.00    +0.349 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.550   1.441   1.261  0.00  0.00    +0.343 C 
ATOM     32  O   LIG    1        6.800   1.884   0.153  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1        7.558   1.188   2.127  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1        8.361   1.451   1.629  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8