REMARK  Name = BDB017887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.567  -1.194  -0.412  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1        1.495  -0.151  -0.836  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1        0.850   0.941  -1.383  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        1.338   1.958  -1.835  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.589   0.656  -1.348  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -1.642   1.443  -1.780  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.955   0.948  -1.649  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -3.137  -0.334  -1.072  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -2.053  -1.115  -0.644  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.775  -0.604  -0.789  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        0.640  -1.467   1.100  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.479  -0.420   2.034  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.556  -0.658   3.409  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.785  -1.948   3.875  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        0.887  -2.244   5.566  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        0.934  -3.002   2.979  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.861  -2.764   1.603  0.00  0.00    +0.010 A 
ENDBRANCH   1  11
BRANCH   7  18
ATOM     18  C   LIG    1       -4.127   1.817  -2.107  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -4.325   2.995  -1.146  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1       -5.458   1.073  -2.280  0.00  0.00    +0.046 C 
BRANCH  18  21
ATOM     21  O   LIG    1       -3.814   2.362  -3.396  0.00  0.00    -0.385 OA
ATOM     22  H   LIG    1       -3.408   1.651  -3.920  0.00  0.00    +0.211 HD
ENDBRANCH  18  21
ENDBRANCH   7  18
BRANCH   1  24
ATOM     23  C   LIG    1        0.739  -2.359  -2.548  0.00  0.00    +0.197 C 
ATOM     24  O   LIG    1        0.846  -2.403  -1.131  0.00  0.00    -0.351 OA
ENDBRANCH   1  24
BRANCH   2  25
ATOM     25  C   LIG    1        2.939  -0.276  -0.748  0.00  0.00    +0.146 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.501   0.194   0.573  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        4.034  -0.726   1.489  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        4.522  -0.295   2.724  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.488   1.059   3.048  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        5.079   1.587   4.574  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        3.976   1.987   2.145  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        3.485   1.556   0.911  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6