REMARK  Name = BDB064674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.193  -0.104  -0.648  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -2.098   0.569  -0.160  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.864   0.649  -0.932  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -0.173   1.899  -0.398  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -0.587   1.920   1.074  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -2.017   1.371   1.051  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -3.174  -0.616  -1.774  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.022  -0.592  -0.701  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.011  -0.753  -1.651  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.134  -0.050  -2.366  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.094  -1.327   0.277  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.046  -1.750  -1.509  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.309  -1.120  -0.979  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        3.447  -0.868   0.394  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        4.597  -0.250   0.890  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.631   0.122   0.025  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.490  -0.117  -1.347  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.338  -0.732  -1.846  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1        6.826   0.771   0.550  0.00  0.00    +0.069 A 
ATOM     20  N   LIG    1        8.108   0.277   0.453  0.00  0.00    -0.267 N 
ATOM     21  C   LIG    1        8.529  -0.977  -0.129  0.00  0.00    +0.173 C 
ATOM     22  N   LIG    1        9.040   1.085   0.999  0.00  0.00    -0.179 NA
ATOM     23  C   LIG    1        8.329   2.098   1.496  0.00  0.00    +0.135 A 
ATOM     24  C   LIG    1        6.953   1.952   1.258  0.00  0.00    +0.049 A 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1       -0.503   3.233   1.603  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1       -1.137   3.800   1.127  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -4.469  -0.176   0.230  0.00  0.00    +0.164 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -6.867   1.811  -1.931  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -5.868   1.549  -0.837  0.00  0.00    +0.211 C 
ATOM     30  N   LIG    1       -5.568   0.216  -0.660  0.00  0.00    -0.304 N 
ATOM     31  H   LIG    1       -5.686  -0.373  -1.477  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -5.362   2.454  -0.181  0.00  0.00    -0.276 OA
ENDBRANCH  27  30
BRANCH  27  33
ATOM     33  C   LIG    1       -4.703  -1.578   0.877  0.00  0.00    -0.011 C 
ATOM     34  C   LIG    1       -6.006  -1.542   1.706  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -4.826  -2.711  -0.161  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1       -3.548  -1.924   1.836  0.00  0.00    +0.013 C 
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 8