REMARK  Name = BDB049231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.719  -0.895   0.041  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.182   0.228   0.683  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.206   0.434   0.760  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.125  -0.469   0.214  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.576  -1.609  -0.389  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.191  -1.823  -0.472  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.498  -0.278   0.286  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        4.092   0.769   1.132  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1        5.586   0.491   1.431  0.00  0.00    +0.125 C 
ATOM     10  N   LIG    1        6.384   0.250   0.213  0.00  0.00    -0.312 N 
ATOM     11  C   LIG    1        5.617   0.049  -1.027  0.00  0.00    +0.125 C 
ATOM     12  C   LIG    1        4.370  -0.829  -0.775  0.00  0.00    +0.124 C 
BRANCH  10  13
ATOM     13  C   LIG    1        7.592   0.929   0.072  0.00  0.00    +0.121 A 
ATOM     14  N   LIG    1        7.925   1.431  -1.139  0.00  0.00    -0.240 NA
ATOM     15  C   LIG    1        9.106   2.076  -1.273  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1       10.012   2.251  -0.245  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        9.687   1.720   0.993  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        8.473   1.052   1.150  0.00  0.00    +0.043 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  N   LIG    1       -4.384  -0.310  -0.526  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -4.218  -1.469  -1.409  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -2.774  -1.994  -1.185  0.00  0.00    +0.079 C 
ATOM     22  C   LIG    1       -2.224  -1.119  -0.017  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1       -3.032   0.175  -0.234  0.00  0.00    +0.094 C 
BRANCH  21  24
ATOM     24  N   LIG    1       -2.607  -3.462  -1.079  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1       -3.232  -4.052   0.103  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -3.053  -4.146  -2.292  0.00  0.00    +0.104 C 
ENDBRANCH  21  24
BRANCH  19  27
ATOM     27  C   LIG    1       -5.261   0.713  -1.101  0.00  0.00    +0.122 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -6.881   0.238   1.414  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -6.372   1.604   1.039  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -5.604   1.822  -0.128  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -5.143   3.120  -0.392  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1       -4.415   3.362  -1.493  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -5.415   4.184   0.463  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -6.160   3.965   1.616  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -6.631   2.684   1.903  0.00  0.00    +0.004 A 
ENDBRANCH  27  30
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 6