REMARK  Name = BDB058565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.787   0.525   0.817  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1       -0.213  -0.058   1.827  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1       -1.140  -1.166   1.297  0.00  0.00    +0.059 C 
ATOM      4  N   LIG    1       -1.751  -0.684   0.053  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1       -0.722  -0.596  -0.995  0.00  0.00    +0.059 C 
ATOM      6  C   LIG    1       -0.053  -1.949  -1.288  0.00  0.00    +0.019 C 
ATOM      7  C   LIG    1        0.456  -2.684  -0.056  0.00  0.00    +0.003 C 
ATOM      8  C   LIG    1       -0.461  -2.540   1.153  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1        0.263   0.527  -0.626  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        2.092  -0.138   0.930  0.00  0.00    -0.312 N 
ATOM     11  H   LIG    1        2.182  -0.719   1.750  0.00  0.00    +0.149 HD
BRANCH  10  23
ATOM     12  C   LIG    1        4.485  -1.501   1.469  0.00  0.00    +0.155 C 
ATOM     13  N   LIG    1        4.478  -0.209   0.807  0.00  0.00    -0.282 N 
ATOM     14  C   LIG    1        5.726   0.323   0.462  0.00  0.00    +0.279 A 
ATOM     15  O   LIG    1        6.809  -0.194   0.723  0.00  0.00    -0.265 OA
ATOM     16  C   LIG    1        5.613   1.555  -0.235  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1        4.418   2.138  -0.518  0.00  0.00    +0.097 A 
ATOM     18  C   LIG    1        4.643   3.333  -1.215  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        6.016   3.450  -1.344  0.00  0.00    +0.085 A 
ATOM     20  N   LIG    1        3.202   1.592  -0.141  0.00  0.00    -0.214 NA
ATOM     21  N   LIG    1        6.598   2.357  -0.740  0.00  0.00    -0.355 N 
ATOM     22  H   LIG    1        7.591   2.165  -0.676  0.00  0.00    +0.166 HD
ATOM     23  C   LIG    1        3.269   0.455   0.506  0.00  0.00    +0.199 A 
ENDBRANCH  10  23
ENDBRANCH   1  10
BRANCH   4  24
ATOM     24  C   LIG    1       -2.945  -1.436  -0.384  0.00  0.00    +0.121 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.227  -1.204   0.464  0.00  0.00    +0.158 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.836   0.168   0.241  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1       -4.369   1.268   0.977  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -4.902   2.543   0.774  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.907   2.736  -0.170  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.379   1.656  -0.912  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.845   0.382  -0.711  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  O   LIG    1       -5.191  -2.217   0.140  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1       -4.838  -3.057   0.477  0.00  0.00    +0.210 HD
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 6