REMARK  Name = BDB027631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.338  -1.296  -0.335  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.377  -2.447  -0.715  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.766  -2.339  -0.661  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.482  -3.465  -1.040  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.954  -4.650  -1.447  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.613  -4.726  -1.471  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.396  -1.224  -0.267  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.631  -0.182   0.091  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.208  -3.671  -1.120  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.286  -0.179   0.074  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.321   1.050   0.518  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.696   1.059   0.798  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.305   2.239   1.196  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.651   3.410   1.333  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.332   3.397   1.059  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        1.639   2.267   0.656  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.742  -1.337  -0.367  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -2.033  -1.588  -1.311  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -2.414   1.081  -0.706  0.00  0.00    +0.135 C 
ATOM     20  C   LIG    1       -2.561  -0.216   0.102  0.00  0.00    +0.100 C 
ATOM     21  C   LIG    1       -2.370   0.165   1.573  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -2.399   1.695   1.607  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -2.957   2.128   0.258  0.00  0.00    +0.033 C 
BRANCH  19  24
ATOM     24  O   LIG    1       -3.182   1.032  -1.904  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1       -3.086   1.897  -2.340  0.00  0.00    +0.210 HD
ENDBRANCH  19  24
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4