REMARK  Name = BDB014596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.299   2.631   0.245  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.887   1.440   0.625  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.067   1.260   1.607  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.299   3.024  -0.918  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        0.342   3.408   1.403  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        1.535   4.101   1.080  0.00  0.00    -0.483 OA
BRANCH   6   9
ATOM      7  C   LIG    1        4.046   1.333   0.897  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        2.825   1.995   1.128  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        2.673   3.365   0.892  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1        3.763   4.097   0.425  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.981   3.468   0.186  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        5.118   2.097   0.419  0.00  0.00    +0.023 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.798  -1.846   3.689  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1        5.892  -2.053   2.563  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        6.311  -1.232   1.401  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1        5.146  -0.861   0.459  0.00  0.00    +0.120 C 
ATOM     17  N   LIG    1        4.133  -0.043   1.161  0.00  0.00    -0.327 N 
ATOM     18  C   LIG    1        3.975  -0.363   2.603  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1        4.484  -1.786   2.932  0.00  0.00    +0.103 C 
ENDBRANCH   7  17
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  20
ATOM     20  C   LIG    1       -1.581   0.609  -0.346  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.888  -0.771   0.241  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.770  -0.644   1.367  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -3.472  -0.017   1.125  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.396  -1.824  -0.775  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.586  -1.615  -1.605  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.838  -1.423  -0.874  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.050  -1.351  -1.782  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -5.912  -1.056  -3.151  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.050  -0.960  -3.962  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.321  -1.131  -3.413  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.464  -1.405  -2.055  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.537  -0.912  -3.757  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -7.335  -1.512  -1.242  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -3.448  -0.661  -2.703  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9