REMARK  Name = BDB024187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.349  -1.114   0.329  0.00  0.00    +0.171 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.280  -2.633   0.292  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1        1.754  -3.333  -0.830  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        1.698  -4.727  -0.874  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        1.171  -5.439   0.201  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        0.702  -4.759   1.323  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        0.757  -3.366   1.371  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -0.069  -0.521   0.630  0.00  0.00    +0.240 C 
ATOM      9  N   LIG    1       -0.873  -0.491  -0.501  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1       -0.516  -0.920  -1.341  0.00  0.00    +0.156 HD
ATOM     11  O   LIG    1       -0.384  -0.171   1.766  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.179   0.009  -0.557  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1       -2.740   0.596   0.506  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1       -4.006   1.065   0.382  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1       -4.794   0.998  -0.769  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -4.163   0.379  -1.858  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -2.860  -0.115  -1.760  0.00  0.00    +0.044 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -6.267   1.563  -0.854  0.00  0.00    +0.021 C 
ATOM     19  C   LIG    1       -6.542   3.027  -0.404  0.00  0.00    +0.008 C 
ATOM     20  C   LIG    1       -7.922   2.544   0.084  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -7.302   1.140   0.227  0.00  0.00    +0.008 C 
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  22
ATOM     22  N   LIG    1        2.307  -0.572   1.316  0.00  0.00    -0.302 NA
ATOM     23  H   LIG    1        1.913  -0.729   2.248  0.00  0.00    +0.123 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.675  -1.082   1.242  0.00  0.00    +0.086 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.461  -0.694  -0.024  0.00  0.00    +0.050 C 
BRANCH  25  29
ATOM     26  C   LIG    1        5.875   3.395  -0.079  0.00  0.00    +0.052 A 
ATOM     27  C   LIG    1        6.780   2.338   0.051  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        6.319   1.018   0.070  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.950   0.738  -0.040  0.00  0.00    -0.046 A 
ATOM     30  C   LIG    1        4.051   1.805  -0.172  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.509   3.126  -0.189  0.00  0.00    +0.019 A 
BRANCH  26  33
ATOM     32  N   LIG    1        6.735   5.842  -0.123  0.00  0.00    -0.191 NA
ATOM     33  C   LIG    1        6.347   4.748  -0.100  0.00  0.00    +0.099 C 
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 9