REMARK  Name = BDB028749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.318   0.133  -0.030  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1        1.215   0.954  -0.598  0.00  0.00    +0.112 C 
ATOM      3  C   LIG    1       -0.213   0.694  -0.007  0.00  0.00    +0.119 C 
ATOM      4  N   LIG    1       -0.536  -0.757  -0.119  0.00  0.00    -0.304 N 
ATOM      5  C   LIG    1        0.502  -1.603   0.516  0.00  0.00    +0.122 C 
ATOM      6  C   LIG    1        1.899  -1.292  -0.075  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.225   1.560  -0.754  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1       -1.789   2.680  -0.121  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -2.709   3.489  -0.791  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.075   3.184  -2.100  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -4.211   4.180  -2.924  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -2.530   2.077  -2.745  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -1.609   1.269  -2.075  0.00  0.00    +0.007 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -1.774  -1.053   0.535  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1       -2.666  -1.939  -0.127  0.00  0.00    +0.066 A 
ATOM     16  C   LIG    1       -3.891  -2.216   0.476  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -4.169  -1.679   1.726  0.00  0.00    +0.061 A 
ATOM     18 CL   LIG    1       -5.659  -2.014   2.510  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1       -3.221  -0.862   2.323  0.00  0.00    +0.133 A 
ATOM     20  N   LIG    1       -2.031  -0.541   1.761  0.00  0.00    -0.237 NA
BRANCH  15  21
ATOM     21  N   LIG    1       -2.415  -2.369  -1.448  0.00  0.00    -0.355 N 
ATOM     22  H   LIG    1       -2.769  -3.294  -1.662  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1       -1.429  -2.234  -1.673  0.00  0.00    +0.142 HD
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH   1  24
ATOM     24  C   LIG    1        2.632   0.570   1.356  0.00  0.00    +0.180 C 
BRANCH  24  28
ATOM     25  C   LIG    1        6.236  -0.644   1.044  0.00  0.00    +0.128 C 
ATOM     26  N   LIG    1        4.884  -0.213   0.815  0.00  0.00    -0.317 N 
ATOM     27  H   LIG    1        4.557  -0.001  -0.125  0.00  0.00    +0.148 HD
ATOM     28  C   LIG    1        3.983   0.013   1.831  0.00  0.00    +0.227 C 
ATOM     29  O   LIG    1        4.238  -0.159   3.019  0.00  0.00    -0.274 OA
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 5