REMARK  Name = BDB002746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.554  -0.862   1.643  0.00  0.00    -0.285 NA
ATOM      2  C   LIG    1       -0.302  -0.556   0.904  0.00  0.00    +0.152 C 
ATOM      3  C   LIG    1        0.542   0.426   1.746  0.00  0.00    +0.231 C 
ATOM      4  O   LIG    1        1.188   1.343   1.248  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1        0.563   0.205   3.100  0.00  0.00    -0.313 N 
ATOM      6  H   LIG    1        1.212   0.778   3.624  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -0.001  -0.998   3.661  0.00  0.00    +0.119 C 
ATOM      8  C   LIG    1       -1.323  -1.426   2.984  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -2.572  -1.616   0.903  0.00  0.00    +0.124 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.862   0.238  -0.274  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1       -3.073  -0.920  -0.344  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -2.747  -1.429  -1.613  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -3.196  -0.796  -2.774  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.988   0.347  -2.684  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.330   0.860  -1.434  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -3.592   1.960   1.232  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -4.241   0.719   0.953  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  C   LIG    1        0.499  -1.786   0.465  0.00  0.00    +0.124 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.953  -1.497   0.142  0.00  0.00    +0.218 C 
ATOM     20  N   LIG    1        2.275  -0.925  -1.076  0.00  0.00    -0.299 N 
ATOM     21  C   LIG    1        1.315  -0.317  -1.987  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        2.817  -1.811   0.966  0.00  0.00    -0.276 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.686  -0.618  -1.331  0.00  0.00    +0.164 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.076   0.801  -0.998  0.00  0.00    +0.077 A 
ATOM     25  N   LIG    1        4.072   1.717  -2.007  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        4.435   2.972  -1.655  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1        4.805   3.308  -0.364  0.00  0.00    +0.130 A 
ATOM     28  N   LIG    1        4.826   2.407   0.641  0.00  0.00    -0.260 NA
ATOM     29  C   LIG    1        4.433   1.155   0.300  0.00  0.00    +0.135 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7