REMARK  Name = BDB032417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.217   2.825   0.127  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        0.737   0.557  -0.587  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1        0.964   0.723  -1.906  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1        0.144   1.573  -2.558  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1       -0.886   2.273  -1.950  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.099   2.099  -0.579  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1       -0.265   1.215   0.111  0.00  0.00    +0.072 A 
BRANCH   2   8
ATOM      8  O   LIG    1        1.534  -0.290   0.156  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1        2.518  -1.008  -0.595  0.00  0.00    +0.234 C 
BRANCH   9  14
ATOM     10  C   LIG    1        7.319  -0.986   0.345  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1        6.067  -1.726   0.486  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1        5.502  -2.111  -0.813  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1        4.857  -0.955  -1.583  0.00  0.00    +0.022 C 
ATOM     14  C   LIG    1        3.821  -0.196  -0.743  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        4.433   0.185   0.615  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1        5.089  -1.009   1.314  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  N   LIG    1       -3.494   2.150  -0.086  0.00  0.00    -0.339 N 
ATOM     18  H   LIG    1       -3.631   1.967  -1.075  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.913   1.047   0.684  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -5.009   0.236   0.235  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -5.443  -0.869   1.014  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -6.506  -1.668   0.519  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1       -7.139  -1.423  -0.640  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1       -6.739  -0.357  -1.349  0.00  0.00    +0.113 A 
ATOM     25  C   LIG    1       -4.810  -1.119   2.249  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -3.799  -0.291   2.720  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.708   0.480  -0.964  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -3.373   0.788   1.952  0.00  0.00    +0.023 A 
BRANCH  22  29
ATOM     29  N   LIG    1       -6.978  -2.783   1.232  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -6.216  -3.440   1.367  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -7.315  -2.479   2.139  0.00  0.00    +0.144 HD
ENDBRANCH  22  29
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7