REMARK  Name = BDB014975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.230  -0.768  -0.292  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.064  -1.103   0.459  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        1.185  -0.272   1.621  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        0.309  -0.296   2.052  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        2.323  -1.007  -0.434  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1        2.403   0.193  -1.295  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        2.757   1.414  -0.542  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        4.217   1.532  -0.154  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        5.212   0.834  -0.862  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        6.559   0.995  -0.509  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        6.918   1.859   0.525  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.937   2.562   1.218  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.828  -0.138  -1.948  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        4.593   2.403   0.879  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.368   0.021  -2.396  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -1.333  -0.991   0.608  0.00  0.00    -0.488 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.292  -1.852   0.124  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1       -3.653  -1.459   0.155  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -4.589  -2.431  -0.250  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -4.208  -3.715  -0.659  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.869  -4.077  -0.657  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -1.913  -3.151  -0.255  0.00  0.00    +0.047 A 
BRANCH  18  23
ATOM     23  N   LIG    1       -4.078  -0.198   0.570  0.00  0.00    -0.325 N 
ATOM     24  C   LIG    1       -3.283   0.996   0.234  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.183   2.236   0.020  0.00  0.00    +0.100 C 
ATOM     26  N   LIG    1       -5.085   2.569   1.138  0.00  0.00    -0.313 NA
ATOM     27  H   LIG    1       -4.583   3.146   1.812  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -5.539   1.348   1.835  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1       -5.460   0.044   1.009  0.00  0.00    +0.120 C 
ENDBRANCH  18  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7