REMARK  Name = BDB007582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.385  -1.845   0.668  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -1.132  -2.020   1.813  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.695  -1.907   2.717  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.786  -2.151  -0.449  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        3.586  -0.245   1.076  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.604   0.077   2.019  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.306  -0.431   1.908  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        0.980  -1.276   0.843  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        1.954  -1.579  -0.116  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        3.252  -1.068   0.001  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        4.803   0.328   1.310  0.00  0.00    -0.489 OA
BRANCH  11  16
ATOM     12  C   LIG    1        9.241   1.500  -1.373  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1        8.335   1.544  -0.228  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1        8.415   0.305   0.555  0.00  0.00    +0.087 C 
ATOM     15  C   LIG    1        7.173   0.101   1.413  0.00  0.00    +0.060 C 
ATOM     16  C   LIG    1        5.932  -0.088   0.529  0.00  0.00    +0.176 C 
ATOM     17  C   LIG    1        6.028   0.729  -0.768  0.00  0.00    +0.060 C 
ATOM     18  C   LIG    1        6.968   1.921  -0.611  0.00  0.00    +0.087 C 
ENDBRANCH  11  16
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  19
ATOM     19  C   LIG    1       -2.445  -2.643   1.784  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.595  -1.650   1.562  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.823  -2.265   1.985  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -5.516  -1.802   1.468  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.744  -1.215   0.088  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.026  -0.495  -0.132  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.319  -0.461  -1.583  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.522   0.386  -1.940  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.986   1.386  -1.069  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.082   2.178  -1.436  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.699   1.996  -2.673  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.230   1.019  -3.548  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.345   1.558   0.284  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.145   0.220  -3.186  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.966   0.889   0.374  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8