REMARK  Name = BDB018426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.373  -0.092  -0.558  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        0.896  -0.411  -0.125  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        1.774   0.463  -0.734  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1        1.097   1.378  -1.482  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -0.183   1.016  -1.398  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -2.808  -4.257  -0.075  0.00  0.00    +0.152 C 
ATOM      7  N   LIG    1       -2.816  -2.809   0.065  0.00  0.00    -0.318 N 
ATOM      8  C   LIG    1       -3.967  -2.177   0.515  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -5.012  -2.743   0.819  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -3.886  -0.701   0.628  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -2.768  -0.029   0.295  0.00  0.00    -0.002 A 
ATOM     12  C   LIG    1       -1.585  -0.762  -0.187  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.672  -2.106  -0.271  0.00  0.00    +0.098 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -2.821   1.433   0.493  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.576   2.254  -0.343  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1       -3.651   3.600  -0.222  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -2.939   4.158   0.781  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -2.160   3.433   1.668  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -2.103   2.049   1.520  0.00  0.00    +0.011 A 
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        3.191   0.561  -0.601  0.00  0.00    +0.079 A 
ATOM     21  C   LIG    1        4.005  -0.470  -0.106  0.00  0.00    +0.084 A 
ATOM     22  C   LIG    1        5.376  -0.247   0.110  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        5.952   0.982  -0.205  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.166   1.992  -0.748  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.798   1.786  -0.948  0.00  0.00    +0.028 A 
BRANCH  21  26
ATOM     26  C   LIG    1        3.565  -1.856   0.117  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1        3.711  -2.503   1.135  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        3.045  -2.379  -1.006  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        2.884  -3.321  -0.791  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH   3  20
TORSDOF 5