REMARK  Name = BDB007821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.398   1.678   0.058  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1       -3.182   0.383  -0.285  0.00  0.00    +0.268 C 
ATOM      3  O   LIG    1       -4.403   0.406  -0.456  0.00  0.00    -0.270 OA
ATOM      4  N   LIG    1       -2.382  -0.760  -0.441  0.00  0.00    -0.232 N 
ATOM      5  C   LIG    1       -0.989  -0.686  -0.141  0.00  0.00    +0.103 A 
ATOM      6  C   LIG    1       -0.476   0.425   0.525  0.00  0.00    +0.240 A 
ATOM      7  N   LIG    1        0.821   0.583   0.874  0.00  0.00    -0.196 NA
ATOM      8  C   LIG    1        1.691  -0.378   0.514  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1        1.296  -1.498  -0.197  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -0.053  -1.646  -0.533  0.00  0.00    +0.032 A 
ATOM     11  O   LIG    1       -1.259   1.482   0.891  0.00  0.00    -0.459 OA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.979  -2.011  -0.795  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -3.943  -2.075  -1.814  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -4.548  -3.289  -2.159  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -4.205  -4.452  -1.477  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -4.947  -5.944  -1.899  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.269  -4.410  -0.448  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -2.665  -3.195  -0.105  0.00  0.00    +0.025 A 
ENDBRANCH   4  12
BRANCH   8  19
ATOM     19  N   LIG    1        2.999  -0.132   0.915  0.00  0.00    -0.269 N 
ATOM     20  H   LIG    1        3.134   0.754   1.394  0.00  0.00    +0.156 HD
ATOM     21  C   LIG    1        4.143  -0.852   0.648  0.00  0.00    +0.235 C 
ATOM     22  O   LIG    1        4.203  -1.890  -0.005  0.00  0.00    -0.274 OA
BRANCH  21  23
ATOM     23  C   LIG    1        5.382  -0.235   1.342  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        6.691  -0.801   0.795  0.00  0.00    +0.034 C 
BRANCH  23  25
ATOM     25  N   LIG    1        5.316   1.250   1.341  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1        6.048   1.603   1.960  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        5.515   1.844   0.021  0.00  0.00    +0.101 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  19
BRANCH   1  29
ATOM     28  C   LIG    1       -1.103   3.566  -1.177  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1       -1.975   2.322  -1.296  0.00  0.00    +0.054 C 
ENDBRANCH   1  29
BRANCH   1  30
ATOM     30  C   LIG    1       -3.330   2.649   0.830  0.00  0.00    +0.054 C 
ATOM     31  C   LIG    1       -3.769   2.124   2.197  0.00  0.00    +0.008 C 
ENDBRANCH   1  30
TORSDOF 6