REMARK  Name = BDB046646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.953   1.532   0.647  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        0.147   0.663   0.577  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        1.464   1.148   0.517  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1        1.676   2.531   0.516  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.595   3.409   0.578  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.711   2.913   0.644  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -4.881  -1.474   0.508  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -4.005  -0.380   0.648  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1       -4.518   0.849   1.048  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1       -3.427   1.679   1.083  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1       -3.441   2.649   1.357  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1       -2.307   0.969   0.713  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1       -5.869   1.068   1.328  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -6.728  -0.027   1.186  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1       -2.639  -0.284   0.454  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1       -6.247  -1.276   0.784  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -3.081  -2.955  -0.189  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -2.442  -2.165  -0.114  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -2.733  -3.849  -0.500  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -4.411  -2.813   0.081  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -5.183  -3.758  -0.030  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   3  22
ATOM     22  C   LIG    1        2.633   0.188   0.449  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.670  -0.605  -0.785  0.00  0.00    -0.294 NA
BRANCH  23  24
ATOM     24  C   LIG    1        2.879   0.180  -2.015  0.00  0.00    +0.112 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.279   0.739  -2.321  0.00  0.00    +0.171 C 
BRANCH  25  26
ATOM     26  O   LIG    1        4.710   1.671  -1.337  0.00  0.00    -0.394 OA
ATOM     27  H   LIG    1        5.596   1.971  -1.605  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
BRANCH  23  28
ATOM     28  C   LIG    1        3.513  -1.802  -0.690  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.870  -1.692   0.030  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  O   LIG    1        5.589  -2.919  -0.083  0.00  0.00    -0.394 OA
ATOM     31  H   LIG    1        5.062  -3.606   0.362  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 10