REMARK  Name = BDB026877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.518   1.019   0.300  0.00  0.00    +0.175 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.552   2.055   0.740  0.00  0.00    +0.066 A 
ATOM      3  N   LIG    1       -2.509   2.439  -0.141  0.00  0.00    -0.258 NA
ATOM      4  C   LIG    1       -3.434   3.331   0.277  0.00  0.00    +0.111 A 
ATOM      5  C   LIG    1       -3.466   3.865   1.552  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -2.491   3.462   2.454  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.524   2.546   2.048  0.00  0.00    +0.025 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        0.088   1.260  -2.024  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.645   0.686  -1.205  0.00  0.00    +0.188 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.565  -0.372  -1.660  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.614  -1.099  -0.990  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.130  -2.022  -1.909  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.163  -2.918  -1.603  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.705  -2.877  -0.319  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.234  -1.967   0.619  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.452  -1.850  -3.091  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -2.629  -2.376  -3.936  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.200  -1.079   0.297  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -1.519  -0.867  -2.956  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.872   1.510   0.590  0.00  0.00    -0.302 NA
ATOM     21  H   LIG    1        1.091   2.169  -0.167  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.849   0.414   0.556  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.266   0.961   0.773  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.297  -0.142   0.752  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        4.691  -0.770   1.942  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.630  -1.804   1.918  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.176  -2.216   0.704  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        7.332  -3.490   0.675  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        5.790  -1.604  -0.487  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        4.851  -0.571  -0.463  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7