REMARK  Name = BDB039308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.448   0.123   0.444  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.767   1.317   0.632  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.199   2.382   1.027  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.375   1.078   0.237  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.281  -0.222  -0.255  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.067  -0.713  -0.706  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -0.056   0.132  -0.653  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1        0.063   1.448  -0.150  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.292   1.934   0.300  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.621  -0.876  -0.219  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.851   1.205   0.439  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.661   0.908   0.491  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.857   1.017  -0.616  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.297   1.383  -1.449  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.555   0.596  -0.760  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.013   0.618  -1.864  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.901  -0.009   0.493  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.531   0.570   1.759  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.031   0.323   1.733  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.361  -0.358  -1.119  0.00  0.00    +0.055 A 
ATOM     21  N   LIG    1       -1.693  -0.447  -2.479  0.00  0.00    -0.299 N 
ATOM     22  C   LIG    1       -2.913  -0.927  -2.934  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1       -2.845  -0.865  -4.306  0.00  0.00    +0.138 A 
ATOM     24  N   LIG    1       -1.635  -0.366  -4.715  0.00  0.00    -0.243 NA
ATOM     25  C   LIG    1       -3.874  -1.336  -1.973  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -3.588  -1.245  -0.654  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1       -0.973  -0.118  -3.605  0.00  0.00    +0.204 A 
ATOM     28  C   LIG    1       -2.280  -0.751  -0.210  0.00  0.00    +0.031 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -4.573  -1.692   0.406  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.613  -0.694   0.700  0.00  0.00    -0.294 NA
ATOM     31  C   LIG    1       -5.072   0.498   1.389  0.00  0.00    +0.113 C 
ATOM     32  C   LIG    1       -6.188   1.484   1.773  0.00  0.00    +0.175 C 
ATOM     33  O   LIG    1       -7.169   0.856   2.608  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -7.745  -0.264   1.924  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1       -6.667  -1.293   1.549  0.00  0.00    +0.113 C 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   7  20
TORSDOF 4