REMARK  Name = BDB014495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.688   0.248   0.697  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.261  -0.155  -0.222  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.036  -0.405  -1.159  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.459   0.297   1.903  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.028   0.634   0.057  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        3.076   0.845   0.998  0.00  0.00    -0.479 OA
BRANCH   6   8
ATOM      7  C   LIG    1        4.778  -0.720   0.296  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1        3.796  -0.301   1.200  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1        3.582  -1.014   2.378  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        4.312  -2.178   2.628  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.260  -2.621   1.704  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.490  -1.894   0.534  0.00  0.00    +0.049 A 
BRANCH   7  13
ATOM     13  O   LIG    1        4.984  -0.023  -0.866  0.00  0.00    -0.487 OA
BRANCH  13  14
ATOM     14  C   LIG    1        6.185   0.768  -0.799  0.00  0.00    +0.244 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.830   2.240  -0.507  0.00  0.00    +0.124 C 
BRANCH  15  17
ATOM     16  C   LIG    1        7.924   2.972   0.506  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1        6.923   3.225  -0.527  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1        7.541   3.356  -1.843  0.00  0.00    +0.104 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.562  -0.652   0.204  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.450  -0.944  -1.013  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.751  -1.850  -1.890  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.573  -2.665  -1.386  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.813  -1.560  -0.627  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.643  -0.746   0.272  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.826  -1.496   0.740  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -7.104  -1.208  -0.013  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -7.393   0.130  -0.324  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.597   0.466  -0.942  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -9.509  -0.538  -1.267  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -9.227  -1.872  -0.963  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.347   1.147   0.045  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -8.030  -2.207  -0.329  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.967   0.574  -0.317  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 12