REMARK  Name = BDB014468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.394  -0.431  -0.269  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.748  -1.183  -0.038  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1       -1.503  -0.950   0.517  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -1.508  -0.836   1.530  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -2.953  -1.149  -1.249  0.00  0.00    -0.274 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -3.858  -1.476   1.005  0.00  0.00    +0.168 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -4.803  -0.299   1.143  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1       -4.482   0.819   1.932  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -5.361   1.899   2.030  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -6.568   1.883   1.335  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.896   0.788   0.538  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.019  -0.294   0.440  0.00  0.00    +0.005 A 
ENDBRANCH   6   7
BRANCH   6  13
ATOM     13  N   LIG    1       -3.254  -1.850   2.315  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -2.822  -2.768   2.202  0.00  0.00    +0.119 HD
ATOM     15  H   LIG    1       -4.026  -1.994   2.969  0.00  0.00    +0.119 HD
ENDBRANCH   6  13
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        0.257  -1.518  -1.133  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.849  -2.513  -0.282  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.138  -2.789   0.324  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        1.289  -0.991  -2.162  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.452  -0.187  -1.760  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        3.232  -0.775  -0.664  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        4.462   0.040  -0.308  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        4.566   1.393  -0.679  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        5.698   2.132  -0.308  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.708   1.539   0.449  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.599   0.205   0.835  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.495   2.025  -1.533  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        5.481  -0.540   0.462  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        2.181   1.228  -1.520  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 8