REMARK  Name = BDB002050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.833   1.692  -0.196  0.00  0.00    +0.173 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.512   2.951  -0.081  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -2.469   2.741   0.002  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -1.361   0.696   0.843  0.00  0.00    +0.178 C 
BRANCH   4   8
ATOM      5  C   LIG    1       -4.484  -0.920  -0.097  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1       -3.100  -0.994   0.050  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.154  -2.123  -0.173  0.00  0.00    +0.066 C 
ATOM      8  N   LIG    1       -2.700   0.241   0.486  0.00  0.00    -0.265 N 
ATOM      9  N   LIG    1       -3.701   1.137   0.540  0.00  0.00    -0.175 NA
ATOM     10  C   LIG    1       -4.795   0.436   0.221  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -6.108   1.131   0.255  0.00  0.00    +0.068 C 
BRANCH   5  13
ATOM     12  C   LIG    1       -6.780  -1.753  -0.892  0.00  0.00    +0.092 C 
ATOM     13  C   LIG    1       -5.355  -2.031  -0.491  0.00  0.00    +0.164 C 
ATOM     14  O   LIG    1       -4.952  -3.196  -0.494  0.00  0.00    -0.292 OA
ENDBRANCH   5  13
ENDBRANCH   4   8
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        0.667   1.936  -0.011  0.00  0.00    +0.262 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.367   0.707  -0.204  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.727   0.733  -0.052  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.349  -0.510  -0.215  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        4.726  -0.592  -0.087  0.00  0.00    -0.041 A 
ATOM     20  C   LIG    1        5.591  -1.809  -0.182  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        6.978  -1.174  -0.363  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        6.936   0.187   0.347  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        5.488   0.539   0.212  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1        4.888   1.773   0.388  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        3.498   1.868   0.247  0.00  0.00    +0.046 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7