REMARK  Name = BDB039239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.669  -3.335   1.943  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.364  -2.054   1.517  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.017  -1.829   1.006  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.652  -0.381   0.801  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.579   0.662   1.024  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        3.207   1.999   0.838  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.925   2.349   0.404  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.016   1.311   0.167  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.301   1.270  -0.252  0.00  0.00    -0.324 N 
ATOM     10  C   LIG    1       -0.681  -0.062  -0.318  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.309  -0.845   0.056  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.963   0.333   1.526  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.362  -0.024   0.357  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.383  -1.083   1.141  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        3.845  -4.236   2.053  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -2.043  -0.565  -0.735  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1       -1.955  -1.994  -1.308  0.00  0.00    +0.030 C 
ATOM     18  C   LIG    1       -2.151  -3.052  -0.227  0.00  0.00    +0.108 C 
ATOM     19  N   LIG    1       -3.448  -2.906   0.440  0.00  0.00    -0.302 N 
ATOM     20  C   LIG    1       -4.103  -3.939   1.096  0.00  0.00    +0.212 C 
ATOM     21  O   LIG    1       -5.227  -3.811   1.581  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1       -3.380  -5.260   1.188  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -4.068  -1.585   0.416  0.00  0.00    +0.108 C 
ATOM     24  C   LIG    1       -3.023  -0.477   0.450  0.00  0.00    +0.030 C 
ENDBRANCH  10  16
BRANCH   1  26
ATOM     25  C   LIG    1        6.341  -4.798   2.683  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.991  -3.490   2.231  0.00  0.00    -0.454 OA
ENDBRANCH   1  26
BRANCH   9  27
ATOM     27  C   LIG    1       -1.148   2.424  -0.571  0.00  0.00    +0.090 C 
ATOM     28  C   LIG    1       -1.372   3.319   0.653  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -0.621   3.183  -1.805  0.00  0.00    +0.060 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.655   4.096  -2.422  0.00  0.00    -0.045 A 
ATOM     31  C   LIG    1       -2.655   3.573  -3.255  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.621   4.412  -3.812  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.598   5.779  -3.542  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.607   6.309  -2.718  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -1.639   5.473  -2.160  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   9  27
TORSDOF 5