REMARK  Name = BDB027079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.953   0.816   0.073  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.866   2.005  -0.193  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.556   2.142  -1.409  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.381   3.244  -1.639  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.522   4.226  -0.662  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.838   4.110   0.546  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.013   3.009   0.779  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.275   0.828  -0.756  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.015   0.694  -1.734  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.114   2.013  -0.581  0.00  0.00    +0.089 C 
BRANCH  10  12
ATOM     11  C   LIG    1        3.219   3.223  -1.280  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1        2.425   1.917  -1.402  0.00  0.00    +0.030 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.306   0.733  -1.027  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1        3.721  -0.164  -2.023  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.538  -1.253  -1.709  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        4.946  -1.468  -0.389  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.554  -0.570   0.610  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.740   0.522   0.291  0.00  0.00    +0.004 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.808  -2.642  -0.097  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1        6.502  -3.167  -0.959  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        5.768  -3.148   1.174  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        6.242  -4.032   1.302  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        4.990  -2.951   1.788  0.00  0.00    +0.145 HD
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1       -1.708  -0.526  -0.173  0.00  0.00    +0.186 C 
ATOM     25  O   LIG    1       -1.666  -1.074  -1.281  0.00  0.00    -0.290 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -2.501  -1.106   0.923  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -3.176  -2.376   0.922  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -3.810  -2.521   2.157  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -4.564  -3.651   2.498  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -4.674  -4.669   1.548  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -4.055  -4.559   0.306  0.00  0.00    +0.001 A 
ATOM     32  N   LIG    1       -3.541  -1.388   2.884  0.00  0.00    -0.360 N 
ATOM     33  H   LIG    1       -3.883  -1.217   3.820  0.00  0.00    +0.165 HD
ATOM     34  C   LIG    1       -3.306  -3.422  -0.018  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -2.755  -0.533   2.158  0.00  0.00    +0.095 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8