REMARK  Name = BDB021301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.023  -1.024   0.639  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.706  -0.267  -0.527  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        1.366  -0.121  -0.836  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.294   0.646  -1.976  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        2.601   0.916  -2.310  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.332  -0.678  -0.054  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.639  -1.353   1.018  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        3.470   0.352  -1.409  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.972  -1.517   1.331  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.368   0.996   0.907  0.00  0.00    +0.175 C 
ATOM     11  N   LIG    1        5.354  -0.420   1.176  0.00  0.00    -0.247 N 
ATOM     12  C   LIG    1        4.331  -1.337   1.101  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        4.925  -2.497   1.565  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        6.226  -2.263   1.893  0.00  0.00    -0.137 NA
ATOM     15  N   LIG    1        6.482  -0.988   1.653  0.00  0.00    -0.065 NA
ENDBRANCH   1  12
BRANCH   5  16
ATOM     16  C   LIG    1        3.067   1.688  -3.422  0.00  0.00    +0.121 C 
ATOM     17  N   LIG    1        3.410   2.325  -4.330  0.00  0.00    -0.189 NA
ENDBRANCH   5  16
BRANCH   6  18
ATOM     18  N   LIG    1       -0.975  -0.480  -0.447  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.139  -0.288  -1.429  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.061  -1.225   0.168  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.372  -0.642  -0.270  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.850   0.568   0.225  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.234   1.520   1.180  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -4.444   2.415   1.452  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -5.368   2.307   0.345  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.051   1.102  -0.226  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.825   0.474  -1.181  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.369  -0.743  -1.688  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.159  -1.285  -1.235  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.741  -2.445  -1.763  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5