REMARK  Name = BDB032231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.482  -0.406   1.672  0.00  0.00    +0.006 A 
ATOM      2  C   LIG    1       -0.640  -1.486   1.814  0.00  0.00    +0.121 A 
ATOM      3  N   LIG    1        0.699  -1.418   1.675  0.00  0.00    -0.223 NA
ATOM      4  C   LIG    1        1.222  -0.217   1.386  0.00  0.00    +0.215 A 
ATOM      5  N   LIG    1        0.492   0.894   1.229  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.843   0.777   1.375  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.595  -0.059   1.240  0.00  0.00    -0.313 N 
ATOM      8  H   LIG    1        2.693   0.813   0.721  0.00  0.00    +0.149 HD
BRANCH   7   9
ATOM      9  C   LIG    1        3.257  -1.187   0.597  0.00  0.00    +0.113 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.763  -0.949   0.530  0.00  0.00    +0.114 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.144   0.083  -0.515  0.00  0.00    +0.217 C 
ATOM     12  N   LIG    1        6.483   0.403  -0.587  0.00  0.00    -0.301 N 
ATOM     13  C   LIG    1        6.973   1.397  -1.525  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1        8.389   1.697  -1.053  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1        8.828   0.377  -0.433  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1        7.558  -0.122   0.240  0.00  0.00    +0.108 C 
ATOM     17  O   LIG    1        4.313   0.600  -1.262  0.00  0.00    -0.276 OA
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -2.963  -0.501   1.843  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.624  -0.136   0.597  0.00  0.00    -0.339 N 
ATOM     20  H   LIG    1       -3.196  -0.594  -0.206  0.00  0.00    +0.146 HD
BRANCH  19  24
ATOM     21  C   LIG    1       -7.627   0.235  -2.191  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -7.059   0.035  -0.907  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.646   0.059  -0.786  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -5.030  -0.170   0.487  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1       -5.853  -0.320   1.613  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -7.240  -0.336   1.500  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -4.907   0.324  -1.954  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -5.563   0.514  -3.157  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1       -7.835  -0.174   0.254  0.00  0.00    +0.012 A 
ATOM     30  N   LIG    1       -6.897   0.465  -3.295  0.00  0.00    -0.240 NA
BRANCH  21  31
ATOM     31  N   LIG    1       -9.018   0.218  -2.388  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1       -9.441   0.952  -1.831  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -9.387  -0.678  -2.090  0.00  0.00    +0.144 HD
ENDBRANCH  21  31
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8