REMARK  Name = BDB028472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.706  -1.092  -2.528  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -0.839  -1.671  -1.454  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.011  -1.640  -0.717  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -3.185  -0.978  -1.280  0.00  0.00    +0.131 C 
ATOM      5  C   LIG    1       -3.697   0.172  -0.377  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1       -3.612  -0.197   1.121  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1       -3.415  -1.696   1.340  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1       -2.149  -2.179   0.635  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        0.182  -2.374  -0.872  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.099  -3.188  -0.345  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -5.085   0.485  -0.748  0.00  0.00    -0.339 N 
ATOM     12  H   LIG    1       -5.710  -0.316  -0.688  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.709   1.677  -0.378  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -5.029   2.823   0.032  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -5.748   3.976   0.316  0.00  0.00    +0.112 A 
ATOM     16  N   LIG    1       -7.087   4.079   0.202  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -7.729   2.980  -0.239  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -7.093   1.785  -0.545  0.00  0.00    +0.042 A 
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   9  19
ATOM     19  C   LIG    1        1.442  -2.562  -1.576  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.541  -3.077  -0.641  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.080  -4.309  -0.050  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        2.859  -4.734   0.352  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.951  -2.102   0.487  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.631  -0.890   0.003  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.764  -0.537   0.883  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.431   0.774   0.522  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        4.752   1.743  -0.237  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        5.378   2.961  -0.535  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.661   3.227  -0.060  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.330   2.278   0.710  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.378   1.443  -0.779  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        6.718   1.059   1.003  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        2.711   0.262  -0.061  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   9  19
TORSDOF 7