REMARK  Name = BDB060033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.120   1.133  -2.694  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.239  -0.221  -2.368  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        1.347  -0.663  -1.642  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1        2.339   0.251  -1.257  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        2.235   1.597  -1.632  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        1.124   2.038  -2.352  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.530  -0.182  -0.477  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        3.263  -1.108   0.516  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.288  -1.316   0.693  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        4.613   0.324  -0.743  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.189  -1.725   1.383  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        3.674  -2.567   2.376  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        4.534  -3.216   3.264  0.00  0.00    +0.043 A 
ATOM     14 CL   LIG    1        3.884  -4.248   4.479  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1        5.911  -3.038   3.175  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.431  -2.205   2.187  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        5.573  -1.552   1.295  0.00  0.00    +0.023 A 
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  O   LIG    1       -0.946   1.589  -3.429  0.00  0.00    -0.435 OA
BRANCH  18  21
ATOM     19  C   LIG    1       -3.479   1.437  -0.892  0.00  0.00    +0.096 A 
ATOM     20  N   LIG    1       -2.257   1.311  -1.458  0.00  0.00    -0.208 NA
ATOM     21  C   LIG    1       -2.166   1.685  -2.761  0.00  0.00    +0.262 A 
ATOM     22  C   LIG    1       -3.264   2.162  -3.498  0.00  0.00    +0.179 A 
ATOM     23  N   LIG    1       -4.480   2.286  -2.928  0.00  0.00    -0.234 NA
ATOM     24  C   LIG    1       -4.562   1.918  -1.622  0.00  0.00    +0.141 A 
BRANCH  19  29
ATOM     25  C   LIG    1       -5.110   0.351   3.685  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1       -4.289   0.549   2.515  0.00  0.00    -0.274 N 
ATOM     27  N   LIG    1       -2.976   0.270   2.576  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -2.537   0.571   1.351  0.00  0.00    +0.144 A 
ATOM     29  C   LIG    1       -3.565   1.032   0.496  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -4.694   1.004   1.291  0.00  0.00    +0.118 A 
ENDBRANCH  19  29
BRANCH  22  31
ATOM     31  N   LIG    1       -3.167   2.586  -4.823  0.00  0.00    -0.339 N 
ATOM     32  H   LIG    1       -2.686   1.910  -5.406  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -4.101   2.809  -5.154  0.00  0.00    +0.144 HD
ENDBRANCH  22  31
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 6