REMARK  Name = BDB061211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.596  -0.327  -0.050  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1        1.078   0.288   1.098  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1       -0.270   0.658   1.128  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.803   1.238   2.361  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1       -0.096   1.472   3.422  0.00  0.00    -0.179 NA
ATOM      6  N   LIG    1        1.220   1.146   3.372  0.00  0.00    -0.243 N 
ATOM      7  H   LIG    1        1.766   1.338   4.208  0.00  0.00    +0.192 HD
ATOM      8  C   LIG    1       -1.090   0.445   0.016  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -0.601  -0.158  -1.084  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1        1.883   0.575   2.310  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        3.084   0.347   2.381  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1        0.702  -0.528  -1.096  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        5.171  -0.878  -0.555  0.00  0.00    +0.197 A 
ATOM     14  N   LIG    1        4.092  -0.033  -0.400  0.00  0.00    -0.323 N 
ATOM     15  C   LIG    1        4.171   1.410  -0.424  0.00  0.00    +0.151 C 
ATOM     16  C   LIG    1        2.963  -0.807  -0.220  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        3.432  -2.106  -0.292  0.00  0.00    +0.139 A 
ATOM     18  N   LIG    1        4.781  -2.144  -0.511  0.00  0.00    -0.231 NA
BRANCH  13  22
ATOM     19  C   LIG    1        8.811  -1.451  -1.117  0.00  0.00    +0.128 C 
ATOM     20  N   LIG    1        7.415  -1.573  -0.804  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1        6.965  -2.484  -0.774  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        6.562  -0.491  -0.759  0.00  0.00    +0.279 C 
ATOM     23  O   LIG    1        6.949   0.666  -0.897  0.00  0.00    -0.267 OA
ENDBRANCH  13  22
ENDBRANCH   1  16
BRANCH   8  24
ATOM     24  N   LIG    1       -2.442   0.821   0.032  0.00  0.00    -0.324 N 
ATOM     25  H   LIG    1       -2.525   1.813   0.245  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.185   0.510  -1.189  0.00  0.00    +0.141 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.624   0.904  -0.997  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.470   0.226  -0.122  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.186  -0.902   0.797  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -6.618  -1.277   1.176  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -7.479  -0.134   0.962  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -6.789   0.625   0.053  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -7.327   1.704  -0.618  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -6.502   2.394  -1.505  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -5.171   1.994  -1.686  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -4.406   2.694  -2.536  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 5