REMARK  Name = BDB009178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.539   2.884  -1.102  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.291   1.892  -1.746  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.671   2.060  -1.952  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -3.278   3.255  -1.541  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.528   4.253  -0.917  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.163   4.069  -0.698  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.630   3.720  -0.713  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.922   2.729  -0.850  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        1.390   1.433  -0.747  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        0.712   0.704  -0.573  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.756   1.169  -0.330  0.00  0.00    +0.106 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.208  -0.214  -0.789  0.00  0.00    +0.034 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.667  -0.508  -0.420  0.00  0.00    +0.086 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.910  -0.497   1.028  0.00  0.00    -0.298 NA
ATOM     15  C   LIG    1        4.377  -1.688   1.726  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1        5.455  -2.716   2.110  0.00  0.00    +0.175 C 
ATOM     17  O   LIG    1        6.478  -2.175   2.956  0.00  0.00    -0.377 OA
ATOM     18  C   LIG    1        6.702  -0.774   2.742  0.00  0.00    +0.175 C 
ATOM     19  C   LIG    1        6.352  -0.330   1.314  0.00  0.00    +0.112 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.480   0.987  -2.644  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.336  -0.384  -1.988  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.063  -0.678  -0.713  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.990   0.333  -0.097  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.888  -0.254   0.997  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.098  -1.172   1.921  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.465  -2.324   1.139  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.845  -1.884  -0.159  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -2.949  -2.861  -0.827  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -2.736  -3.973  -0.355  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.379  -2.445  -1.999  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -1.771  -3.102  -2.476  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.545  -1.229  -2.582  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7