REMARK  Name = BDB003026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.688   2.557   2.513  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        0.062   1.311   1.964  0.00  0.00    +0.044 A 
ATOM      3  N   LIG    1       -1.117   1.435   1.323  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -1.677   0.315   0.824  0.00  0.00    +0.166 A 
ATOM      5  N   LIG    1       -1.136  -0.914   0.923  0.00  0.00    -0.207 NA
ATOM      6  C   LIG    1        0.059  -0.988   1.541  0.00  0.00    +0.178 A 
ATOM      7  C   LIG    1        0.691   0.097   2.108  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.965   0.436   0.109  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -3.614  -0.656  -0.503  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -4.829  -0.509  -1.178  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.437   0.739  -1.259  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.829   1.839  -0.666  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.611   1.688   0.007  0.00  0.00    +0.015 A 
BRANCH   9  14
ATOM     14  O   LIG    1       -3.111  -1.934  -0.488  0.00  0.00    -0.506 OA
ATOM     15  H   LIG    1       -2.277  -1.918   0.028  0.00  0.00    +0.292 HD
ENDBRANCH   9  14
ENDBRANCH   4   8
BRANCH   6  16
ATOM     16  N   LIG    1        0.633  -2.266   1.644  0.00  0.00    -0.134 NA
ATOM     17  N   LIG    1        1.251  -2.746   0.660  0.00  0.00    -0.178 NA
BRANCH  17  18
ATOM     18  C   LIG    1        1.350  -2.062  -0.654  0.00  0.00    +0.158 C 
ATOM     19  C   LIG    1        1.788  -3.120  -1.673  0.00  0.00    +0.040 C 
BRANCH  18  20
ATOM     20  C   LIG    1        2.340  -0.906  -0.663  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.031   0.308  -1.289  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        2.930   1.375  -1.284  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.165   1.234  -0.653  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.498   0.032  -0.033  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.594  -1.031  -0.039  0.00  0.00    +0.009 A 
BRANCH  21  26
ATOM     26  O   LIG    1        0.820   0.442  -1.907  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1        0.722   1.354  -2.227  0.00  0.00    +0.292 HD
ENDBRANCH  21  26
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   6  16
TORSDOF 6