REMARK  Name = BDB060073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.910   1.227   1.389  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.253   0.307   0.558  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.036  -0.209   1.022  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.526   0.176   2.236  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.717  -0.468   2.451  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.914  -1.231   1.391  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -0.134   1.116   3.041  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.864  -1.112   0.506  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.733  -1.799  -0.757  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -1.354   1.643   2.601  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.101   1.818   1.022  0.00  0.00    -0.451 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -4.725   1.242  -0.638  0.00  0.00    +0.259 A 
ATOM     13  C   LIG    1       -4.092   0.978   0.572  0.00  0.00    +0.190 A 
ATOM     14  C   LIG    1       -4.540  -0.102   1.330  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -5.573  -0.896   0.838  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -6.137  -0.578  -0.395  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -7.252  -1.414  -0.948  0.00  0.00    +0.066 C 
ATOM     18  N   LIG    1       -5.727   0.478  -1.138  0.00  0.00    -0.215 NA
BRANCH  12  20
ATOM     19  C   LIG    1       -5.034   2.561  -2.550  0.00  0.00    +0.279 C 
ATOM     20  O   LIG    1       -4.277   2.327  -1.368  0.00  0.00    -0.477 OA
ENDBRANCH  12  20
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  C   LIG    1        3.106  -2.106   1.174  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1        3.717  -1.778  -0.080  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.679  -0.805  -0.092  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        5.452  -0.769  -1.255  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        6.463   0.189  -1.398  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        6.721   1.099  -0.371  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        5.941   1.072   0.783  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.917   0.128   0.919  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1        7.296   0.245  -2.619  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        8.499   0.431  -2.599  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.575   0.113  -3.752  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        5.608   0.145  -3.622  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 8