REMARK  Name = BDB017369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.997  -0.914   0.520  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -2.310  -0.511   0.245  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1       -3.353  -1.453   0.348  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1       -4.682  -1.078   0.064  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1       -5.381  -1.800   0.154  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1       -5.097   0.183  -0.322  0.00  0.00    +0.261 A 
ATOM      7  C   LIG    1       -4.042   1.167  -0.424  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1       -3.998   2.539  -0.763  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1       -2.671   2.910  -0.664  0.00  0.00    +0.196 A 
ATOM     10  O   LIG    1       -1.895   1.852  -0.285  0.00  0.00    -0.462 OA
ATOM     11  O   LIG    1       -6.273   0.439  -0.555  0.00  0.00    -0.267 OA
ATOM     12  N   LIG    1       -3.169  -2.735   0.710  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1       -1.900  -3.098   0.991  0.00  0.00    +0.115 A 
ATOM     14  C   LIG    1       -2.746   0.807  -0.151  0.00  0.00    +0.152 A 
ATOM     15  C   LIG    1       -0.808  -2.243   0.911  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  16
ATOM     16  N   LIG    1        0.084  -0.015   0.411  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1       -0.216   0.955   0.300  0.00  0.00    +0.152 HD
BRANCH  16  20
ATOM     18  C   LIG    1        3.720   0.658   0.076  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1        2.361   0.787   0.385  0.00  0.00    +0.068 A 
ATOM     20  C   LIG    1        1.427  -0.200   0.032  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        1.894  -1.335  -0.634  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.248  -1.474  -0.950  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.161  -0.480  -0.595  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        5.891   1.619   0.199  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.501   1.705   0.484  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 3