REMARK  Name = BDB026878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.554   1.057   0.141  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.514   2.179   0.491  0.00  0.00    -0.005 A 
ATOM      3  C   LIG    1       -2.208   2.921  -0.462  0.00  0.00    +0.116 A 
ATOM      4  N   LIG    1       -3.070   3.923  -0.167  0.00  0.00    -0.263 NA
ATOM      5  C   LIG    1       -3.236   4.224   1.137  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -2.579   3.571   2.164  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -1.705   2.540   1.833  0.00  0.00    +0.008 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.225   0.900  -2.243  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.816   0.443  -1.256  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.749  -0.682  -1.415  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.718  -1.270  -0.526  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.310  -2.340  -1.210  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.301  -3.158  -0.651  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.720  -2.880   0.650  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.170  -1.821   1.360  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.748  -2.393  -2.461  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -2.997  -3.064  -3.175  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.178  -1.014   0.786  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -1.820  -1.404  -2.597  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.839   1.582   0.221  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        0.999   2.127  -0.632  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.831   0.502   0.288  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.249   1.087   0.325  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.296   0.000   0.399  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        4.765  -0.450   1.641  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.718  -1.469   1.709  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.202  -2.044   0.536  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        7.374  -3.300   0.621  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        5.741  -1.610  -0.705  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        4.788  -0.591  -0.774  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7