REMARK  Name = BDB025579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.948  -0.124   0.654  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        2.700  -1.031   1.635  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1        1.454  -0.948   0.859  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1        0.306  -0.485   1.461  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1        0.298  -0.260   2.678  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1        1.649  -1.520  -0.473  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1        3.155  -1.768  -0.591  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1        3.567  -2.014   0.855  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1        3.574   2.634   0.880  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1        2.965   1.331   0.927  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1        2.177   1.149   0.313  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1        3.429   0.329   1.753  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1        4.421   0.464   2.468  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1        3.441  -2.896  -1.399  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1        4.407  -3.015  -1.404  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -1.546  -1.198  -0.277  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1       -2.872  -0.746  -0.914  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1       -3.420  -1.809  -1.880  0.00  0.00    +0.084 C 
ATOM     19  N   LIG    1       -3.022  -3.178  -1.525  0.00  0.00    -0.305 NA
ATOM     20  C   LIG    1       -3.910  -4.157  -2.147  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -2.940  -3.361  -0.080  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -1.788  -2.522   0.489  0.00  0.00    +0.021 C 
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  N   LIG    1       -0.727   1.178   0.039  0.00  0.00    -0.239 N 
ATOM     24  N   LIG    1        0.134   1.331  -0.986  0.00  0.00    -0.065 NA
ATOM     25  N   LIG    1        0.190   2.623  -1.277  0.00  0.00    -0.134 NA
ATOM     26  C   LIG    1       -0.649   3.276  -0.424  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1       -1.253   2.380   0.420  0.00  0.00    +0.134 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -0.873   4.802  -0.416  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -0.386   5.608   0.761  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        0.315   5.717  -0.561  0.00  0.00    +0.010 C 
ENDBRANCH  26  28
ENDBRANCH   1  23
TORSDOF 6