REMARK  Name = BDB026805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.618  -1.322   0.437  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.091  -2.385  -0.548  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.921  -3.433  -0.120  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.350  -4.411  -1.019  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.948  -4.359  -2.353  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.112  -3.333  -2.788  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.682  -2.355  -1.891  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.840  -1.485   0.665  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        1.042  -2.468   0.835  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.327  -0.672   1.784  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.830  -0.877   2.041  0.00  0.00    +0.054 C 
BRANCH  11  13
ATOM     12  C   LIG    1        3.913   0.941   0.626  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        3.730  -0.420   0.915  0.00  0.00    -0.005 A 
ATOM     14  C   LIG    1        4.392  -1.373   0.124  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        5.232  -0.976  -0.917  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.428   0.377  -1.177  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.774   1.336  -0.403  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        2.570   2.844   0.666  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        3.274   1.858   1.422  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -0.984   0.109  -0.067  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -0.189   0.798  -0.712  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.327   0.634   0.243  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -2.822   1.955  -0.040  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.138   2.025   0.422  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -4.925   3.178   0.310  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -4.351   4.300  -0.294  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.042   4.267  -0.767  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -4.442   0.798   0.958  0.00  0.00    -0.360 N 
ATOM     29  H   LIG    1       -5.338   0.558   1.360  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -2.271   3.105  -0.646  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -3.365  -0.043   0.862  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8