REMARK  Name = BDB061966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.442  -0.224  -0.370  0.00  0.00    +0.230 A 
ATOM      2  O   LIG    1       -2.920  -0.940  -1.419  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1       -1.573  -0.885  -1.218  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1       -1.345  -0.147  -0.071  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -0.025   0.056   0.355  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        1.026  -0.499  -0.401  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        0.739  -1.239  -1.558  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -0.578  -1.452  -1.999  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1       -2.539   0.269   0.461  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -7.588   1.491   1.847  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1       -6.907   0.707   0.770  0.00  0.00    -0.032 A 
ATOM     12  C   LIG    1       -5.513   0.603   0.718  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -4.892  -0.107  -0.317  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1       -5.723  -0.680  -1.272  0.00  0.00    +0.124 A 
ATOM     15  N   LIG    1       -7.077  -0.591  -1.266  0.00  0.00    -0.262 NA
ATOM     16  C   LIG    1       -7.634   0.104  -0.249  0.00  0.00    +0.114 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  N   LIG    1        2.335  -0.261   0.074  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        2.395   0.284   0.927  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        3.523  -0.723  -0.456  0.00  0.00    +0.250 C 
ATOM     20  O   LIG    1        3.654  -1.415  -1.459  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.770  -0.283   0.235  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        4.913  -0.158   1.627  0.00  0.00    +0.053 A 
ATOM     23 CL   LIG    1        3.653  -0.524   2.751  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        6.136   0.256   2.172  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        7.226   0.540   1.345  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        7.090   0.404  -0.041  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1        5.873  -0.008  -0.597  0.00  0.00    +0.047 A 
BRANCH  26  28
ATOM     28  N   LIG    1        8.232   0.699  -0.916  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        9.323   0.929  -0.376  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        8.034   0.708  -2.138  0.00  0.00    -0.126 OA
ENDBRANCH  26  28
ENDBRANCH  19  21
ENDBRANCH   6  17
TORSDOF 4