REMARK  Name = BDB028853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.444   3.228  -1.095  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.304   2.091  -0.864  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1        0.566   0.991  -0.974  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        0.080  -0.337  -0.770  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.231  -0.486  -0.482  0.00  0.00    +0.110 A 
ATOM      6  C   LIG    1       -2.057   0.736  -0.399  0.00  0.00    +0.220 A 
ATOM      7  N   LIG    1        1.827   1.416  -1.277  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.631   1.947  -0.574  0.00  0.00    -0.193 NA
ATOM      9  C   LIG    1        1.741   2.741  -1.339  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.663   5.468   0.008  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.030   4.650  -1.084  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        0.152   5.317  -2.449  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   4  13
ATOM     13  N   LIG    1        0.908  -1.463  -0.849  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        0.504  -2.336  -0.528  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.360  -1.526  -0.998  0.00  0.00    +0.140 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.132  -1.435   0.306  0.00  0.00    -0.009 A 
ATOM     17  C   LIG    1        4.544  -1.555   0.274  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        5.262  -1.491   1.483  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        4.609  -1.322   2.704  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.225  -1.209   2.737  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.494  -1.266   1.550  0.00  0.00    +0.007 A 
BRANCH  17  22
ATOM     22  N   LIG    1        5.200  -1.703  -0.973  0.00  0.00    -0.336 N 
ATOM     23  C   LIG    1        6.226  -2.746  -1.004  0.00  0.00    +0.129 C 
ATOM     24  C   LIG    1        5.660  -0.398  -1.466  0.00  0.00    +0.129 C 
ENDBRANCH  17  22
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   4  13
BRANCH   6  25
ATOM     25  O   LIG    1       -3.371   0.601  -0.117  0.00  0.00    -0.473 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.089  -0.636   0.110  0.00  0.00    +0.178 C 
ATOM     27  C   LIG    1       -5.569  -0.376  -0.202  0.00  0.00    +0.060 C 
ATOM     28  C   LIG    1       -6.508  -1.010   0.826  0.00  0.00    +0.087 C 
ATOM     29  N   LIG    1       -6.090  -2.338   1.277  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1       -6.306  -3.365   0.261  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1       -4.722  -2.363   1.812  0.00  0.00    +0.087 C 
ATOM     32  C   LIG    1       -3.911  -1.092   1.555  0.00  0.00    +0.060 C 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 7