REMARK  Name = BDB014877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.511   3.936   0.447  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.025   3.745   0.290  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.563   2.450   0.093  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.114   2.318  -0.146  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.675   0.905  -0.001  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.624   0.334  -0.026  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.546  -0.992   0.119  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -0.762  -1.271   0.274  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -1.539  -0.157   0.172  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.013  -0.024   0.256  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.428   1.335  -0.347  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.268   4.715   0.346  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.144  -2.667   0.465  0.00  0.00    +0.130 C 
ATOM     14  C   LIG    1       -2.126  -2.878   1.619  0.00  0.00    +0.035 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -1.629  -3.275  -0.854  0.00  0.00    +0.182 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -1.956  -4.654  -0.693  0.00  0.00    -0.393 OA
ATOM     17  H   LIG    1       -2.117  -5.015  -1.582  0.00  0.00    +0.209 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        1.738   1.090  -0.191  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        1.614   2.092  -0.249  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.109   0.748  -0.257  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.593  -0.562  -0.163  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        4.966  -0.850  -0.251  0.00  0.00    -0.049 A 
ATOM     23  C   LIG    1        5.449  -2.263  -0.108  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.875   0.198  -0.413  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        5.417   1.508  -0.512  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.048   1.778  -0.438  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5