REMARK  Name = BDB044066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.966  -0.823   2.553  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -1.371  -0.976   1.295  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        0.023  -0.941   1.146  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.844  -0.766   2.257  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.257  -0.633   3.516  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.133  -0.668   3.666  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -5.632   1.080  -1.052  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -5.366   0.477   0.164  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -4.128   0.182   0.686  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -4.355  -0.420   1.915  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -5.811  -0.490   2.202  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -6.384  -0.931   3.174  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -3.420  -0.874   2.761  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -6.407   0.115   1.017  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -7.737   0.330   0.713  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -8.021   0.935  -0.513  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -6.980   1.304  -1.391  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -4.722   2.532  -2.771  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -3.917   2.835  -3.306  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -5.437   3.219  -2.582  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -4.529   1.437  -1.973  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -3.486   0.801  -2.019  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  O   LIG    1        2.209  -0.699   2.259  0.00  0.00    -0.489 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.909  -0.839   1.013  0.00  0.00    +0.261 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.015   0.524   0.312  0.00  0.00    +0.166 C 
BRANCH  25  26
ATOM     26  O   LIG    1        3.741   1.446   1.138  0.00  0.00    -0.387 OA
ATOM     27  H   LIG    1        3.374   1.339   2.037  0.00  0.00    +0.210 HD
ENDBRANCH  25  26
BRANCH  25  28
ATOM     28  C   LIG    1        3.639   0.429  -1.100  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.825  -0.441  -1.229  0.00  0.00    -0.295 NA
ATOM     30  C   LIG    1        5.072  -0.763  -2.653  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1        6.524  -1.196  -2.901  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1        7.464  -0.147  -2.632  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        7.007   0.772  -1.630  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1        6.045   0.134  -0.615  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 8