REMARK  Name = BDB014431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.104   1.339  -1.750  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.834  -0.353  -1.132  0.00  0.00    +0.256 C 
ATOM      3  N   LIG    1        1.261   0.898  -0.982  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.922   1.614  -0.691  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        1.291  -1.243  -1.781  0.00  0.00    -0.271 OA
BRANCH   2   7
ATOM      6  C   LIG    1        3.872  -1.791  -0.865  0.00  0.00    +0.065 C 
ATOM      7  C   LIG    1        3.151  -0.545  -0.335  0.00  0.00    +0.180 C 
ATOM      8  C   LIG    1        2.762  -0.719   1.139  0.00  0.00    +0.065 C 
BRANCH   7   9
ATOM      9  O   LIG    1        3.871   0.692  -0.564  0.00  0.00    -0.477 OA
BRANCH   9  10
ATOM     10  C   LIG    1        5.158   0.735  -0.111  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1        6.197   0.492  -1.008  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        7.521   0.589  -0.579  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        7.801   0.955   0.737  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.759   1.238   1.621  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.435   1.141   1.192  0.00  0.00    +0.046 A 
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.218   0.579  -1.486  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.238  -0.650  -2.220  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.370  -1.089  -2.075  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.465   0.340   0.026  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.803  -0.097   0.470  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.832   0.936   0.283  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -5.212   0.489   0.723  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -5.527  -0.878   0.826  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.818  -1.269   1.203  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.800  -0.310   1.452  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.498   1.044   1.331  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.456  -1.916   0.595  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.211   1.443   0.966  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.238  -1.353  -0.153  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 8