REMARK  Name = BDB013874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.441  -1.609  -0.680  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.099  -1.568  -0.866  0.00  0.00    +0.036 C 
ATOM      3  C   LIG    1        0.813  -1.207   0.430  0.00  0.00    -0.039 A 
ATOM      4  C   LIG    1        1.401  -2.189   1.245  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1        2.010  -1.802   2.447  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.034  -0.462   2.838  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.476   0.541   2.036  0.00  0.00    -0.044 A 
ATOM      8  C   LIG    1        1.473  -3.639   0.835  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1        0.564  -4.000  -0.336  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1        0.870   0.139   0.834  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        0.610  -2.917  -1.408  0.00  0.00    +0.010 C 
BRANCH   7  12
ATOM     12  C   LIG    1        1.486   1.990   2.458  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1        2.090   3.036   1.550  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        2.785   2.668   2.825  0.00  0.00    +0.009 C 
ENDBRANCH   7  12
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  N   LIG    1       -2.060  -0.283  -0.615  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1       -1.869   0.205   0.269  0.00  0.00    +0.146 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -2.382   1.959  -1.564  0.00  0.00    +0.082 A 
ATOM     18  C   LIG    1       -2.135   0.577  -1.713  0.00  0.00    +0.060 A 
ATOM     19  C   LIG    1       -2.105   0.128  -3.035  0.00  0.00    +0.134 A 
ATOM     20  N   LIG    1       -2.236   0.903  -4.142  0.00  0.00    -0.261 NA
ATOM     21  C   LIG    1       -2.443   2.215  -3.941  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -2.528   2.785  -2.688  0.00  0.00    +0.036 A 
BRANCH  17  24
ATOM     23  O   LIG    1       -2.120   2.043   0.839  0.00  0.00    -0.245 OA
ATOM     24  C   LIG    1       -2.456   2.566  -0.208  0.00  0.00    +0.339 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -2.951   3.819  -0.220  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1       -2.960   4.074   0.727  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  17  24
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6