REMARK  Name = BDB050958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.314  -0.137   0.428  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.198  -1.562   0.453  0.00  0.00    -0.390 OA
ATOM      3  H   LIG    1        0.322  -1.791   1.241  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.039   0.557   0.159  0.00  0.00    +0.045 C 
BRANCH   4   5
ATOM      5  C   LIG    1        2.226  -0.314  -0.301  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1        2.056  -0.849  -1.722  0.00  0.00    +0.017 C 
BRANCH   5   9
ATOM      7  N   LIG    1        4.666  -0.274  -0.382  0.00  0.00    -0.315 N 
ATOM      8  H   LIG    1        4.579  -1.278  -0.466  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        3.529   0.488  -0.205  0.00  0.00    +0.216 C 
ATOM     10  O   LIG    1        3.567   1.692   0.027  0.00  0.00    -0.276 OA
BRANCH   7  11
ATOM     11  C   LIG    1        5.995   0.295  -0.276  0.00  0.00    +0.104 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.469   0.337   1.175  0.00  0.00    +0.018 C 
BRANCH  12  14
ATOM     13  C   LIG    1        8.970   0.242   0.683  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        7.834   1.006   1.346  0.00  0.00    -0.002 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   5   9
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -1.451   0.296  -0.545  0.00  0.00    +0.080 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.114  -0.049  -1.938  0.00  0.00    -0.325 NA
ATOM     17  H   LIG    1       -0.957  -1.058  -1.973  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1       -1.915   0.133  -2.541  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
BRANCH  15  19
ATOM     19  C   LIG    1       -2.818  -0.356  -0.220  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.381  -0.082   1.192  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1       -3.572   1.414   1.458  0.00  0.00    +0.008 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.674  -0.890   1.468  0.00  0.00    +0.038 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.860  -0.589   0.583  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -6.762   0.430   0.918  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -7.857   0.708   0.097  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -8.064  -0.033  -1.065  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.178  -1.053  -1.406  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.083  -1.331  -0.586  0.00  0.00    +0.003 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 13