REMARK  Name = BDB039296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.420  -0.230  -0.244  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.250   0.297   0.480  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.019   0.283  -0.406  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.374  -1.020  -1.009  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.818  -1.883  -1.160  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -2.136  -1.109  -1.391  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -6.305   1.029   0.592  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1       -6.057   0.482  -0.626  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1       -4.775   0.091  -0.852  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -3.703   0.199   0.047  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -4.035   0.767   1.284  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -5.337   1.188   1.569  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1       -9.985   1.515  -0.115  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -8.570   1.283  -0.211  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -8.179   0.797  -1.015  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -7.716   1.462   0.856  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1       -8.054   1.921   1.941  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        1.424  -1.731  -0.264  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.787  -1.076  -0.375  0.00  0.00    -0.031 A 
ATOM     20  C   LIG    1        3.544  -0.810   0.776  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        4.809  -0.230   0.663  0.00  0.00    +0.076 A 
ATOM     22  N   LIG    1        5.547   0.052   1.812  0.00  0.00    -0.279 N 
ATOM     23  H   LIG    1        5.163  -0.093   2.734  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        6.829   0.529   1.751  0.00  0.00    +0.261 C 
ATOM     25  C   LIG    1        7.439   0.609   0.383  0.00  0.00    +0.186 C 
ATOM     26  C   LIG    1        8.755   1.331   0.184  0.00  0.00    +0.062 C 
ATOM     27  O   LIG    1        6.535   0.719  -0.748  0.00  0.00    -0.475 OA
ATOM     28  C   LIG    1        8.708  -0.166   0.099  0.00  0.00    +0.062 C 
ATOM     29  O   LIG    1        7.459   0.813   2.765  0.00  0.00    -0.271 OA
ATOM     30  C   LIG    1        5.326   0.092  -0.591  0.00  0.00    +0.143 A 
ATOM     31  C   LIG    1        4.585  -0.164  -1.740  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1        3.325  -0.755  -1.633  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4