REMARK  Name = BDB062445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.343  -1.276   0.541  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        0.209  -1.216  -0.288  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.074  -0.940   0.228  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -1.219  -0.765   1.605  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.104  -0.822   2.444  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.164  -1.068   1.916  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        5.028  -0.971  -0.290  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        3.764  -0.705   0.253  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        2.677  -1.552  -0.018  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        2.902  -2.675  -0.834  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.171  -2.954  -1.353  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.239  -2.106  -1.075  0.00  0.00    +0.013 A 
BRANCH   7  15
ATOM     13  C   LIG    1        5.087   1.874  -1.145  0.00  0.00    +0.132 C 
ATOM     14  N   LIG    1        6.062   1.280  -0.240  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1        6.175  -0.087   0.014  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1        7.178  -0.607   0.499  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        7.139   2.149   0.197  0.00  0.00    +0.132 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1       -2.184  -0.906  -0.673  0.00  0.00    -0.236 N 
ATOM     19  C   LIG    1       -3.465  -0.337  -0.546  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -4.194  -0.837  -1.630  0.00  0.00    +0.100 A 
ATOM     21  C   LIG    1       -3.247  -1.494  -2.429  0.00  0.00    +0.150 A 
ATOM     22  N   LIG    1       -2.041  -1.515  -1.880  0.00  0.00    -0.174 NA
BRANCH  19  23
ATOM     23  C   LIG    1       -3.799   0.742   0.452  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1       -4.484   1.974  -0.150  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -5.053   2.719   1.058  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1       -5.142   1.694   2.189  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1       -4.767   0.353   1.565  0.00  0.00    +0.010 C 
ENDBRANCH  19  23
BRANCH  20  28
ATOM     28  C   LIG    1       -5.581  -0.647  -1.996  0.00  0.00    +0.340 C 
ATOM     29  O   LIG    1       -5.941  -0.251  -3.093  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.460  -1.017  -1.035  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -6.009  -1.466  -0.297  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  20  28
ENDBRANCH   3  18
TORSDOF 6