REMARK  Name = BDB027697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.088  -0.399   0.533  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -0.122  -0.892   1.831  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.447  -0.884   2.267  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -1.670  -1.378   3.543  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.724  -1.853   4.396  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.544  -1.830   3.950  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.461  -0.429   1.516  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -2.158   0.048   0.299  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.893  -1.366   2.696  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.918   0.078  -0.218  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.261   0.567  -0.531  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -4.590   0.553  -0.081  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -5.593   1.052  -0.897  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -5.376   1.562  -2.125  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -4.098   1.574  -2.554  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -3.031   1.098  -1.810  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.401  -0.384   0.005  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        1.772  -1.331   0.056  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.515   0.159  -1.347  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.985   0.206  -1.761  0.00  0.00    +0.030 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.785   1.218  -0.939  0.00  0.00    +0.122 C 
BRANCH  21  23
ATOM     22  O   LIG    1        5.754   0.583  -2.240  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1        5.217   1.277  -1.394  0.00  0.00    +0.305 C 
BRANCH  23  24
ATOM     24  O   LIG    1        5.915   2.224  -0.739  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1        6.817   2.164  -1.117  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7