REMARK  Name = BDB012448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.678  -1.194  -0.281  0.00  0.00    -0.231 N 
ATOM      2  C   LIG    1        1.729  -1.968  -0.981  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        2.021  -3.026  -1.979  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1        0.515  -1.465  -0.595  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -0.892  -1.646  -0.781  0.00  0.00    +0.255 C 
ATOM      6  N   LIG    1       -1.511  -0.652   0.035  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -0.484   0.231   0.699  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1       -1.380  -2.509  -1.489  0.00  0.00    -0.269 OA
ATOM      9  C   LIG    1        0.772  -0.410   0.243  0.00  0.00    +0.101 A 
ATOM     10  N   LIG    1        2.060  -0.230   0.488  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.882  -0.504   0.268  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.377   0.424   1.112  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.733   0.582   1.351  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.157   1.625   2.274  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.699  -0.210   0.738  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.908  -0.099   0.927  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -5.177  -1.246  -0.204  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -6.193  -2.110  -0.882  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.852  -1.357  -0.401  0.00  0.00    +0.033 A 
ENDBRANCH   6  11
BRANCH   7  20
ATOM     20  C   LIG    1       -0.428   1.663   0.192  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        0.142   2.653   1.015  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.216   3.983   0.592  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.276   4.339  -0.660  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -0.187   5.976  -1.181  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.836   3.376  -1.495  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.909   2.045  -1.074  0.00  0.00    +0.007 A 
ENDBRANCH   7  20
BRANCH   1  28
ATOM     27  C   LIG    1        4.942  -0.278   0.010  0.00  0.00    +0.241 A 
ATOM     28  C   LIG    1        4.087  -1.361  -0.207  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1        4.661  -2.636  -0.304  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1        6.041  -2.784  -0.192  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        6.806  -1.654   0.018  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1        6.290  -0.412   0.116  0.00  0.00    -0.220 NA
BRANCH  27  34
ATOM     33  C   LIG    1        5.365   2.001   0.391  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        4.433   1.002  -0.005  0.00  0.00    -0.478 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4