REMARK  Name = BDB042679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.488  -0.971   0.675  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1       -1.925   0.208   1.463  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1       -0.517   0.506   0.951  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1       -0.491   0.846  -0.469  0.00  0.00    -0.302 NA
ATOM      5  C   LIG    1       -1.657   0.472  -1.260  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -2.337  -0.834  -0.843  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -3.835  -1.372   1.103  0.00  0.00    -0.340 N 
ATOM      8  H   LIG    1       -3.808  -1.999   1.904  0.00  0.00    +0.146 HD
BRANCH   7  12
ATOM      9  C   LIG    1       -7.370   0.825   0.988  0.00  0.00    +0.140 A 
ATOM     10  N   LIG    1       -6.302   1.328   0.332  0.00  0.00    -0.243 NA
ATOM     11  C   LIG    1       -5.152   0.605   0.391  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1       -4.978  -0.588   1.089  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -6.128  -1.078   1.723  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -7.331  -0.370   1.688  0.00  0.00    +0.041 A 
BRANCH   9  16
ATOM     15  N   LIG    1       -9.581   2.187   0.888  0.00  0.00    -0.189 NA
ATOM     16  C   LIG    1       -8.580   1.596   0.918  0.00  0.00    +0.119 C 
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        0.811   0.663  -1.110  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.159  -0.788  -1.473  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.547  -0.921  -2.116  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.686  -0.572  -1.191  0.00  0.00    +0.021 A 
ATOM     21  N   LIG    1        3.901  -1.404  -0.114  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        3.309  -2.215   0.029  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        4.894  -1.234   0.828  0.00  0.00    +0.258 A 
ATOM     24  O   LIG    1        5.032  -2.005   1.771  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        5.783  -0.072   0.640  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1        5.572   0.762  -0.452  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1        6.332   1.852  -0.712  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        7.338   2.110   0.157  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        7.620   1.331   1.272  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.825   0.215   1.519  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        4.486   0.487  -1.389  0.00  0.00    +0.049 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7