REMARK  Name = BDB007048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.556   1.416   0.964  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.053   0.396  -0.061  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.506   0.210  -1.340  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -0.986  -0.741  -2.245  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.064  -1.554  -1.852  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.537  -2.504  -2.768  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -1.940  -2.615  -4.018  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -0.885  -1.773  -4.312  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -2.627  -1.401  -0.578  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -0.397  -0.846  -3.457  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -2.125  -0.442   0.303  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1        0.562   0.973  -1.761  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        0.727   0.663  -2.678  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.089   2.712   0.459  0.00  0.00    -0.003 A 
ATOM     15  C   LIG    1       -0.636   3.648  -0.317  0.00  0.00    +0.064 A 
ATOM     16 CL   LIG    1       -2.320   3.384  -0.675  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1       -0.009   4.819  -0.784  0.00  0.00    +0.060 A 
ATOM     18 CL   LIG    1       -0.834   6.002  -1.746  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1        1.327   5.080  -0.475  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        2.045   4.184   0.307  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        1.432   3.018   0.769  0.00  0.00    +0.007 A 
ENDBRANCH   1  14
BRANCH   1  22
ATOM     22  N   LIG    1        0.181   0.814   2.094  0.00  0.00    -0.318 N 
ATOM     23  H   LIG    1       -0.443   0.637   2.878  0.00  0.00    +0.148 HD
BRANCH  22  27
ATOM     24  C   LIG    1        0.834  -3.512   3.888  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1        1.205  -2.499   2.847  0.00  0.00    +0.040 A 
ATOM     26  N   LIG    1        0.566  -1.304   2.890  0.00  0.00    -0.237 NA
ATOM     27  C   LIG    1        0.873  -0.378   1.960  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        1.839  -0.605   0.991  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        2.489  -1.835   0.952  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        2.167  -2.802   1.893  0.00  0.00    +0.023 A 
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 5