REMARK  Name = BDB027802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.171  -0.271   0.371  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -0.572  -1.542   0.180  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.487  -2.555  -0.129  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -0.981  -3.834  -0.273  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.314  -4.200  -0.137  0.00  0.00    -0.259 NA
ATOM      6  C   LIG    1        1.180  -3.206   0.140  0.00  0.00    +0.134 A 
ATOM      7  N   LIG    1       -2.803  -2.353  -0.285  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -3.256  -1.103  -0.131  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.831  -1.860   0.261  0.00  0.00    +0.058 A 
ATOM     10  N   LIG    1       -2.484  -0.058   0.194  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -4.700  -0.866  -0.318  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -5.579  -1.909  -0.648  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -6.928  -1.639  -0.815  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -7.469  -0.412  -0.679  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -6.622   0.587  -0.362  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -5.260   0.412  -0.176  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.352   0.810   0.757  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        0.155   0.487   1.588  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -1.866   2.249   2.121  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1       -0.867   2.177   0.958  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -1.453   2.761  -0.335  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1        0.363   3.034   1.337  0.00  0.00    +0.031 C 
ENDBRANCH  17  20
ENDBRANCH   1  17
BRANCH   9  23
ATOM     23  N   LIG    1        1.772  -0.848   0.566  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1        1.411   0.040   0.191  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.178  -1.058   0.212  0.00  0.00    +0.129 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.996   0.212   0.493  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  O   LIG    1        5.389   0.026   0.229  0.00  0.00    -0.376 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.721   0.167  -1.159  0.00  0.00    +0.187 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.233   0.021  -1.297  0.00  0.00    +0.184 C 
BRANCH  29  30
ATOM     30  O   LIG    1        7.884   1.043  -0.545  0.00  0.00    -0.393 OA
ATOM     31  H   LIG    1        7.466   1.018   0.338  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   9  23
TORSDOF 10