REMARK  Name = BDB039677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.558  -1.266   0.203  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1        1.492  -0.305   0.308  0.00  0.00    +0.091 C 
ATOM      3  C   LIG    1        0.314  -1.020   1.060  0.00  0.00    +0.077 C 
ATOM      4  C   LIG    1       -0.167   0.393   1.389  0.00  0.00    +0.022 C 
ATOM      5  N   LIG    1       -0.367  -1.926   0.129  0.00  0.00    -0.292 NA
ATOM      6  C   LIG    1        0.675  -2.942  -0.212  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1        1.385   0.719   1.453  0.00  0.00    +0.025 C 
ATOM      8  C   LIG    1        2.094  -2.421  -0.643  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.543  -0.157  -0.425  0.00  0.00    +0.125 A 
ATOM     10  N   LIG    1        5.586   0.804  -0.541  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        4.308   0.401  -0.327  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1        3.907  -0.906  -0.025  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        4.938  -1.846   0.097  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        6.269  -1.479  -0.109  0.00  0.00    +0.035 A 
BRANCH   9  18
ATOM     15  C   LIG    1        9.358   2.216  -1.278  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        8.100   1.627  -0.909  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.236   2.157  -0.996  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        7.958   0.279  -0.659  0.00  0.00    +0.262 C 
ATOM     19  O   LIG    1        8.887  -0.520  -0.637  0.00  0.00    -0.269 OA
ENDBRANCH   9  18
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1       -1.004  -1.350  -1.057  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.338  -0.696  -0.778  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -3.244  -1.212   0.159  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -4.466  -0.579   0.340  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.757   0.550  -0.436  0.00  0.00    +0.091 A 
ATOM     25  C   LIG    1       -6.041   1.193  -0.226  0.00  0.00    -0.012 A 
ATOM     26  C   LIG    1       -6.557   2.393  -0.932  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1       -7.774   2.769  -0.073  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -8.162   1.516   0.724  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -6.911   0.719   0.672  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1       -6.622  -0.469   1.497  0.00  0.00    +0.253 A 
ATOM     31  O   LIG    1       -7.424  -0.900   2.317  0.00  0.00    -0.268 OA
ATOM     32  N   LIG    1       -3.921   1.063  -1.361  0.00  0.00    -0.253 NA
ATOM     33  N   LIG    1       -5.397  -1.058   1.280  0.00  0.00    -0.321 N 
ATOM     34  H   LIG    1       -5.186  -1.872   1.842  0.00  0.00    +0.169 HD
ATOM     35  C   LIG    1       -2.737   0.424  -1.512  0.00  0.00    +0.116 A 
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 4