REMARK  Name = BDB062134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.219   0.376  -1.629  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.160   0.221  -1.543  0.00  0.00    +0.076 A 
ATOM      3  N   LIG    1       -1.582   0.389  -2.847  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -2.942   0.392  -3.331  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -0.483   0.612  -3.628  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        0.620   0.617  -2.920  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        1.434   2.853  -0.662  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        1.724   1.518  -0.025  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        1.156   0.321  -0.517  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        1.508  -0.917   0.067  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1        0.970  -2.229  -0.439  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        2.376  -0.933   1.172  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.924   0.250   1.683  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        2.606   1.466   1.067  0.00  0.00    +0.009 A 
BRANCH  13  15
ATOM     15  C   LIG    1        3.889   0.208   2.840  0.00  0.00    +0.113 C 
BRANCH  15  16
ATOM     16  N   LIG    1        5.263   0.058   2.377  0.00  0.00    -0.326 NA
ATOM     17  H   LIG    1        5.324  -0.787   1.809  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1        5.476   0.823   1.738  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -2.036  -0.025  -0.400  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -2.839  -1.170  -0.351  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -3.666  -1.412   0.753  0.00  0.00    +0.059 A 
ATOM     22 CL   LIG    1       -4.627  -2.849   0.734  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -3.696  -0.512   1.823  0.00  0.00    +0.070 A 
ATOM     24  C   LIG    1       -2.889   0.632   1.777  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -2.065   0.871   0.673  0.00  0.00    +0.011 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.529  -0.724   2.970  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -5.196  -0.865   3.909  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH   2  19
TORSDOF 5