REMARK  Name = BDB046836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.004  -1.681  -0.850  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.881   0.033  -0.214  0.00  0.00    -0.042 C 
ATOM      3  C   LIG    1       -2.780  -1.433  -0.562  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1       -1.374  -2.006  -0.305  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1       -0.341  -1.099  -0.811  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1       -0.378   0.192  -0.112  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1       -1.768   0.756   0.008  0.00  0.00    -0.008 C 
BRANCH   2  12
ATOM      8  C   LIG    1       -8.131   2.449   0.231  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.782   1.808   0.097  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -6.457   0.673   0.849  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.189   0.093   0.747  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -4.217   0.642  -0.097  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1       -4.541   1.787  -0.837  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -5.809   2.368  -0.738  0.00  0.00    +0.004 A 
ENDBRANCH   2  12
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  C   LIG    1        1.548  -2.245   0.473  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.979  -2.764   0.323  0.00  0.00    +0.075 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.021  -1.678   0.150  0.00  0.00    +0.110 A 
ATOM     18  N   LIG    1        5.228  -2.110  -0.338  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        5.379  -3.081  -0.571  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1        6.299  -1.279  -0.545  0.00  0.00    +0.259 A 
ATOM     21  O   LIG    1        7.365  -1.691  -0.986  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        6.079   0.136  -0.205  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1        4.823   0.488   0.296  0.00  0.00    +0.078 A 
ATOM     24  C   LIG    1        4.588   1.824   0.626  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        5.589   2.785   0.459  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.839   2.417  -0.042  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        7.090   1.087  -0.377  0.00  0.00    +0.015 A 
ATOM     28  N   LIG    1        3.791  -0.449   0.477  0.00  0.00    -0.234 NA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5