REMARK  Name = BDB003008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.171   1.596  -0.392  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        2.912   1.303  -1.489  0.00  0.00    -0.329 N 
ATOM      3  C   LIG    1        3.978   0.301  -1.520  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        2.449   2.015  -2.588  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        1.417   2.830  -2.119  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        0.705   3.683  -2.961  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        1.086   3.679  -4.309  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.127   2.858  -4.781  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        2.835   2.003  -3.927  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.307   2.577  -0.753  0.00  0.00    -0.315 N 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        2.318   0.934   0.974  0.00  0.00    +0.301 C 
BRANCH  11  12
ATOM     12  O   LIG    1        2.293  -0.477   0.817  0.00  0.00    -0.484 OA
BRANCH  12  15
ATOM     13  C   LIG    1        2.094  -3.213   0.382  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1        2.182  -2.624   1.763  0.00  0.00    -0.009 A 
ATOM     15  C   LIG    1        2.291  -1.234   1.958  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1        2.392  -0.724   3.257  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        2.371  -1.585   4.356  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.254  -2.958   4.167  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        2.162  -3.476   2.877  0.00  0.00    +0.007 A 
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH  10  20
ATOM     20  C   LIG    1        0.321   3.227   0.138  0.00  0.00    +0.244 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.007   2.486   0.181  0.00  0.00    +0.327 C 
ATOM     22  O   LIG    1       -2.096   3.035   0.103  0.00  0.00    -0.249 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -0.803   1.151   0.370  0.00  0.00    -0.460 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.985   0.332   0.526  0.00  0.00    +0.180 C 
ATOM     25  C   LIG    1       -1.620  -1.125   0.139  0.00  0.00    +0.032 C 
ATOM     26  C   LIG    1       -2.515  -2.160   0.861  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -3.860  -1.585   1.291  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -3.692  -0.414   2.271  0.00  0.00    -0.011 C 
ATOM     29  C   LIG    1       -4.938   0.473   2.250  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -2.422   0.402   1.995  0.00  0.00    +0.048 C 
BRANCH  25  31
ATOM     31  C   LIG    1       -1.553  -1.395  -1.397  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -2.897  -1.262  -2.120  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -0.507  -0.531  -2.106  0.00  0.00    +0.007 C 
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 8