REMARK  Name = BDB053405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.640   1.280  -1.314  0.00  0.00    +0.121 C 
ATOM      2  C   LIG    1        0.498   0.619  -0.582  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1        0.821   1.321   0.582  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        1.829   0.883   1.427  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.550  -0.275   1.090  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.211  -0.978  -0.088  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.097   2.484   0.796  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        1.186  -0.534  -0.929  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.785   2.625  -0.571  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1  19
ATOM     10  C   LIG    1       -2.741  -0.576   3.289  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -3.036  -0.647   1.818  0.00  0.00    +0.041 A 
ATOM     12  N   LIG    1       -2.200   0.036   1.002  0.00  0.00    -0.233 NA
ATOM     13  C   LIG    1       -2.514  -0.074  -0.302  0.00  0.00    +0.161 A 
ATOM     14  C   LIG    1       -3.574  -0.777  -0.853  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1       -3.587  -0.640  -2.216  0.00  0.00    -0.230 NA
ATOM     16  C   LIG    1       -2.567   0.147  -2.514  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1       -4.433  -1.479   0.007  0.00  0.00    -0.020 A 
ATOM     18  C   LIG    1       -5.609  -2.278  -0.464  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1       -1.852   0.479  -1.372  0.00  0.00    -0.305 N 
ATOM     20  C   LIG    1       -4.131  -1.397   1.377  0.00  0.00    +0.028 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -2.233   0.612  -3.908  0.00  0.00    +0.049 C 
ATOM     22  C   LIG    1       -1.263  -0.361  -4.578  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -3.501   0.760  -4.755  0.00  0.00    +0.015 C 
ENDBRANCH  16  21
ENDBRANCH   1  19
BRANCH   5  24
ATOM     24  C   LIG    1        3.642  -0.750   1.954  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1        4.893  -0.093   2.070  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        5.844  -0.608   2.974  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.588  -1.751   3.733  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.370  -2.403   3.607  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.407  -1.906   2.729  0.00  0.00    +0.009 A 
BRANCH  25  30
ATOM     30  C   LIG    1        5.278   1.102   1.308  0.00  0.00    +0.180 A 
ATOM     31  N   LIG    1        4.777   1.490   0.094  0.00  0.00    -0.239 N 
ATOM     32  H   LIG    1        4.068   1.059  -0.483  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        5.378   2.610  -0.330  0.00  0.00    -0.046 NA
ATOM     34  N   LIG    1        6.250   2.910   0.620  0.00  0.00    -0.023 NA
ATOM     35  N   LIG    1        6.207   1.986   1.634  0.00  0.00    -0.108 NA
ENDBRANCH  25  30
ENDBRANCH   5  24
TORSDOF 4