REMARK  Name = BDB021867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.540   0.142   0.376  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.736  -0.089  -0.323  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.758  -0.590   0.451  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1        2.692  -0.413   1.445  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.838   0.161  -1.521  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.028  -1.050   0.028  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        5.015  -1.279   1.002  0.00  0.00    +0.062 A 
ATOM      8 CL   LIG    1        4.700  -0.992   2.681  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1        6.281  -1.746   0.643  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        6.579  -1.999  -0.697  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.609  -1.789  -1.677  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1        4.340  -1.319  -1.309  0.00  0.00    +0.070 A 
BRANCH  11  13
ATOM     13  O   LIG    1        5.769  -2.009  -3.018  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        7.048  -2.447  -3.457  0.00  0.00    +0.277 C 
ENDBRANCH  11  13
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1       -3.408   1.055  -1.041  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1       -2.557   0.215  -1.895  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -1.410  -0.389  -1.086  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -0.587   0.708  -0.399  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -1.499   1.641   0.407  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -2.642   2.167  -0.463  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.661   1.508  -1.677  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1       -4.466   2.197  -3.037  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -5.703   0.370  -1.819  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.264  -1.191   0.181  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -6.218  -0.222  -0.500  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1        0.237  -0.538   1.643  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        0.762   0.155   2.883  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        0.796  -0.564   4.090  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        1.274   0.027   5.261  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.718   1.346   5.244  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.681   2.076   4.059  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.202   1.486   2.887  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8