REMARK  Name = BDB003675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.978  -1.860  -2.535  0.00  0.00    +0.233 C 
ATOM      2  C   LIG    1        0.660  -1.086  -2.479  0.00  0.00    +0.216 C 
ATOM      3  O   LIG    1        0.146  -0.541  -3.456  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        0.051  -0.958  -1.123  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.459  -1.833  -0.030  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -0.131  -1.623   1.290  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -1.042  -0.636   1.488  0.00  0.00    +0.022 A 
ATOM      8  N   LIG    1       -1.456   0.186   0.397  0.00  0.00    -0.348 N 
ATOM      9  C   LIG    1        1.318  -2.843  -0.235  0.00  0.00    +0.059 C 
ATOM     10  C   LIG    1       -0.872  -0.017  -0.865  0.00  0.00    +0.098 A 
ATOM     11  C   LIG    1        1.884  -3.072  -1.589  0.00  0.00    +0.208 C 
ATOM     12  O   LIG    1        2.241  -4.211  -1.883  0.00  0.00    -0.288 OA
ATOM     13  C   LIG    1        2.272  -2.288  -3.974  0.00  0.00    +0.073 C 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -1.655  -0.408   2.819  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -0.816  -0.498   4.075  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -1.295   0.836   3.598  0.00  0.00    +0.010 C 
ENDBRANCH   7  14
BRANCH   1  17
ATOM     17  O   LIG    1        2.913  -0.836  -2.115  0.00  0.00    -0.442 OA
BRANCH  17  18
ATOM     18  C   LIG    1        4.198  -1.189  -1.860  0.00  0.00    +0.309 C 
ATOM     19  O   LIG    1        4.642  -2.323  -1.918  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  C   LIG    1        4.989   0.034  -1.478  0.00  0.00    +0.132 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.450  -0.309  -1.238  0.00  0.00    +0.132 C 
BRANCH  21  22
ATOM     22  C   LIG    1        7.196   0.925  -0.819  0.00  0.00    +0.307 C 
ATOM     23  O   LIG    1        7.070   1.460   0.274  0.00  0.00    -0.251 OA
BRANCH  22  25
ATOM     24  C   LIG    1        8.726   2.554  -1.511  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        7.987   1.373  -1.830  0.00  0.00    -0.468 OA
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   8  26
ATOM     26  C   LIG    1       -2.570   1.159   0.508  0.00  0.00    +0.137 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.928   0.469   0.249  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.090   1.378   0.322  0.00  0.00    -0.296 NA
ATOM     29  C   LIG    1       -6.333   0.704  -0.117  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -7.191   0.181   1.047  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1       -7.603   1.212   1.955  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -6.719   2.341   1.963  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -5.262   1.945   1.680  0.00  0.00    +0.112 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 10