REMARK  Name = BDB021827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.728   0.133  -1.015  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.819   0.980  -1.242  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.645   2.289  -0.855  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -1.696   2.613  -0.772  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.860   0.576  -1.754  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.643   3.289  -0.828  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -3.281   4.609  -0.609  0.00  0.00    +0.138 A 
ATOM      8  N   LIG    1       -4.147   5.641  -0.547  0.00  0.00    -0.224 NA
ATOM      9  C   LIG    1       -5.435   5.306  -0.710  0.00  0.00    +0.223 A 
ATOM     10 CL   LIG    1       -6.567   6.579  -0.636  0.00  0.00    -0.041 Cl
ATOM     11  N   LIG    1       -5.925   4.078  -0.917  0.00  0.00    -0.224 NA
ATOM     12  C   LIG    1       -5.004   3.087  -0.972  0.00  0.00    +0.138 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        2.391  -0.361  -0.473  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1        1.339  -1.250   0.025  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        0.145  -0.512   0.628  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -0.466   0.527  -0.330  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.565   1.051  -1.343  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        1.973   1.011  -0.757  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        3.706  -0.450   0.193  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1        4.340  -1.819  -0.098  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1        3.658  -0.136   1.707  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.989   0.902   1.885  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        5.015  -0.134   2.424  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -1.802  -1.189  -1.662  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.227  -2.323  -0.754  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -3.339  -2.210   0.093  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.727  -3.276   0.907  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.017  -4.474   0.876  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.925  -4.611   0.024  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.536  -3.546  -0.792  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7