REMARK  Name = BDB014658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.694  -0.967   1.485  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.204   0.108   2.205  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.747   0.960   2.269  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.082  -2.026   1.385  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.057  -0.696   0.840  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -2.446  -1.763  -0.010  0.00  0.00    -0.483 OA
BRANCH   6   9
ATOM      7  C   LIG    1       -5.726  -0.566  -1.293  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.537  -0.577  -0.549  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1       -3.630  -1.631  -0.680  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -3.917  -2.675  -1.563  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.091  -2.667  -2.316  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.993  -1.613  -2.183  0.00  0.00    +0.010 A 
BRANCH   7  15
ATOM     13  C   LIG    1       -8.651  -0.754  -0.272  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -7.964   0.441  -0.699  0.00  0.00    -0.333 N 
ATOM     15  C   LIG    1       -6.664   0.539  -1.143  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1       -6.491   1.895  -1.359  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1       -7.630   2.600  -1.072  0.00  0.00    -0.243 NA
ATOM     18  C   LIG    1       -8.500   1.698  -0.681  0.00  0.00    +0.199 A 
ENDBRANCH   7  15
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        1.059   0.046   2.920  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.252   0.610   2.123  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.279   0.939   3.065  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        3.975   1.400   2.567  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.762  -0.390   1.054  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.920  -0.005   0.227  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        5.215  -0.363   0.816  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.410   0.089   0.001  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.274   1.017  -1.048  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.404   1.425  -1.769  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.667   0.938  -1.435  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.810   0.033  -0.386  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.907   1.515  -1.436  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        7.688  -0.389   0.329  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        3.886   1.354  -0.302  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9