REMARK  Name = BDB046649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.893  -0.184  -0.433  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -0.445  -0.968   0.639  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.906  -1.305   0.775  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        1.851  -0.864  -0.160  0.00  0.00    -0.033 A 
ATOM      5  C   LIG    1        1.403  -0.097  -1.243  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.050   0.241  -1.378  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -5.798   0.021   0.195  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -4.466   0.215  -0.223  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1       -4.199   1.162  -1.205  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1       -2.839   1.102  -1.378  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1       -2.308   1.677  -2.012  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1       -2.318   0.149  -0.531  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1       -5.183   1.947  -1.810  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -6.500   1.746  -1.385  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1       -3.291  -0.394   0.181  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1       -6.806   0.802  -0.402  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -5.157  -1.712   1.777  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -4.194  -1.593   1.471  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -5.379  -2.403   2.478  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -6.164  -0.970   1.233  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -7.326  -1.123   1.592  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1        3.315  -1.231  -0.013  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.188  -0.267   0.693  0.00  0.00    -0.294 NA
BRANCH  23  24
ATOM     24  C   LIG    1        4.347   1.020  -0.005  0.00  0.00    +0.112 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.057   0.927  -1.365  0.00  0.00    +0.171 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.230   2.228  -1.922  0.00  0.00    -0.394 OA
ATOM     27  H   LIG    1        5.872   2.698  -1.361  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
BRANCH  23  28
ATOM     28  C   LIG    1        3.805  -0.041   2.106  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.031  -1.282   2.984  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  O   LIG    1        5.357  -1.772   2.796  0.00  0.00    -0.394 OA
ATOM     31  H   LIG    1        5.565  -1.590   1.858  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10