REMARK  Name = BDB052491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.038   1.221  -1.355  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.335   1.044  -1.169  0.00  0.00    +0.109 A 
ATOM      3  C   LIG    1       -2.303   1.863  -1.724  0.00  0.00    +0.182 A 
ATOM      4  N   LIG    1       -3.561   1.451  -1.387  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -3.393   0.401  -0.612  0.00  0.00    +0.198 A 
ATOM      6  N   LIG    1       -2.011   2.928  -2.503  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -0.684   3.117  -2.689  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -2.059   0.116  -0.470  0.00  0.00    -0.323 N 
ATOM      9  H   LIG    1       -1.664  -0.658   0.039  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        0.345   2.331  -2.164  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        1.970   2.777  -2.552  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   5  12
ATOM     12  N   LIG    1       -4.351  -0.367  -0.042  0.00  0.00    -0.299 N 
ATOM     13  C   LIG    1       -4.116  -1.172   1.164  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1       -5.324  -1.107   2.127  0.00  0.00    +0.103 C 
ATOM     15  N   LIG    1       -6.593  -1.572   1.528  0.00  0.00    -0.302 NA
ATOM     16  C   LIG    1       -7.733  -1.085   2.300  0.00  0.00    +0.105 C 
ATOM     17  C   LIG    1       -6.692  -1.183   0.102  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -5.754  -0.039  -0.345  0.00  0.00    +0.123 C 
ENDBRANCH   5  12
BRANCH   1  22
ATOM     19  N   LIG    1        3.561  -0.915  -0.123  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1        3.290   0.527   0.058  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        1.800   0.871   0.297  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        0.916   0.327  -0.757  0.00  0.00    -0.325 N 
ATOM     23  C   LIG    1        1.549  -0.635  -1.677  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        2.483  -1.582  -0.890  0.00  0.00    +0.103 C 
BRANCH  19  25
ATOM     25  C   LIG    1        4.883  -1.172  -0.724  0.00  0.00    +0.143 C 
BRANCH  25  30
ATOM     26  C   LIG    1        8.738   1.262   1.601  0.00  0.00    +0.089 C 
ATOM     27  C   LIG    1        7.663   0.391   1.097  0.00  0.00    +0.135 A 
ATOM     28  O   LIG    1        7.481  -0.783   1.756  0.00  0.00    -0.360 OA
ATOM     29  N   LIG    1        6.446  -1.487   1.167  0.00  0.00    -0.082 NA
ATOM     30  C   LIG    1        6.005  -0.718   0.161  0.00  0.00    +0.098 A 
ATOM     31  C   LIG    1        6.757   0.479   0.071  0.00  0.00    +0.072 A 
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 4