REMARK  Name = BDB001394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.368  -0.564   0.327  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -0.569  -1.026  -0.819  0.00  0.00    -0.262 N 
ATOM      3  C   LIG    1       -0.251  -2.367  -0.755  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        0.382  -3.039  -1.547  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.846  -2.891   0.474  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -0.828  -4.191   0.946  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -1.542  -4.463   2.112  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.263  -3.444   2.759  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.269  -2.138   2.257  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -1.529  -1.858   1.112  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -2.709   0.017  -0.158  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.980   1.396  -0.097  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.194   1.917  -0.553  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.159   1.071  -1.091  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.908  -0.294  -1.184  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.694  -0.815  -0.729  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  O   LIG    1       -0.535   0.409   0.962  0.00  0.00    -0.348 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.710   0.645   2.350  0.00  0.00    +0.163 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -0.127   3.105   2.095  0.00  0.00    +0.006 C 
ATOM     20  C   LIG    1        0.208   1.789   2.779  0.00  0.00    +0.025 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  21
ATOM     21  C   LIG    1       -0.150  -0.147  -1.898  0.00  0.00    +0.112 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.368  -0.025  -2.062  0.00  0.00    +0.024 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.059   0.598  -0.848  0.00  0.00    +0.063 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.575   0.726  -1.033  0.00  0.00    +0.249 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.093   1.270   0.184  0.00  0.00    -0.355 OA
ATOM     26  C   LIG    1        5.510   1.323   0.197  0.00  0.00    +0.197 C 
ENDBRANCH  24  25
BRANCH  24  27
ATOM     27  O   LIG    1        3.833   1.603  -2.128  0.00  0.00    -0.355 OA
ATOM     28  C   LIG    1        4.613   0.989  -3.144  0.00  0.00    +0.197 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 10