REMARK  Name = BDB021155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.989  -0.065  -0.218  0.00  0.00    -0.219 N 
ATOM      2  C   LIG    1        0.206  -0.726  -0.046  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        0.405  -1.916   0.109  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.278   0.275  -0.118  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1        0.669   1.502  -0.283  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        1.383   2.679  -0.389  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        2.773   2.583  -0.327  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        3.405   1.332  -0.160  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        2.658   0.150  -0.055  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -0.771   1.286  -0.302  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -1.576   2.195  -0.362  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -2.356  -2.193  -0.196  0.00  0.00    +0.042 C 
ATOM     13  C   LIG    1       -2.340  -0.654  -0.042  0.00  0.00    +0.119 C 
ATOM     14  C   LIG    1       -2.760  -0.368   1.418  0.00  0.00    +0.243 C 
ATOM     15  O   LIG    1       -1.972  -0.237   2.351  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -4.112  -0.344   1.635  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.380  -0.311   2.611  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.924   0.449   0.874  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.997   0.853   1.312  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -4.372   0.903  -0.454  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -3.379  -0.087  -1.051  0.00  0.00    +0.045 C 
ENDBRANCH   1  13
BRANCH   9  22
ATOM     22  O   LIG    1        3.164  -1.099   0.129  0.00  0.00    -0.480 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.548  -1.326  -0.064  0.00  0.00    +0.349 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.471  -0.974   1.103  0.00  0.00    +0.343 C 
ATOM     25  O   LIG    1        5.156  -0.324   2.087  0.00  0.00    -0.247 OA
BRANCH  24  26
ATOM     26  O   LIG    1        6.738  -1.430   0.926  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1        6.874  -1.961   0.119  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 5