REMARK  Name = BDB018170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.551  -0.609   2.315  0.00  0.00    +0.192 C 
ATOM      2  C   LIG    1       -1.538  -1.551   1.611  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -1.214  -1.914   0.164  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -2.835  -0.743   1.705  0.00  0.00    +0.198 C 
ATOM      5  C   LIG    1       -2.355   0.718   1.658  0.00  0.00    +0.252 C 
ATOM      6  O   LIG    1       -0.950   0.737   1.988  0.00  0.00    -0.344 OA
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -2.574   1.363   0.369  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -3.827   1.655  -0.116  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -3.678   2.266  -1.353  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -4.856   2.635  -2.018  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -6.041   2.387  -1.427  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -6.041   1.781  -0.224  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1       -2.281   2.344  -1.608  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -4.986   1.377   0.507  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -1.626   1.791  -0.528  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1       -4.877   3.262  -3.255  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -5.780   3.689  -3.427  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -4.065   3.828  -3.459  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   5   7
BRANCH   2  19
ATOM     19  O   LIG    1       -1.660  -2.782   2.336  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1       -2.348  -2.615   3.016  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   4  21
ATOM     21  O   LIG    1       -3.455  -1.034   2.980  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1       -4.316  -0.571   2.978  0.00  0.00    +0.210 HD
ENDBRANCH   4  21
BRANCH   1  23
ATOM     23  C   LIG    1        0.940  -0.813   2.025  0.00  0.00    +0.263 C 
BRANCH  23  24
ATOM     24  O   LIG    1        1.234  -0.482   0.665  0.00  0.00    -0.489 OA
BRANCH  24  30
ATOM     25  C   LIG    1        6.832  -0.751  -2.719  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1        6.292  -1.005  -1.364  0.00  0.00    +0.040 A 
ATOM     27  N   LIG    1        4.972  -0.820  -1.006  0.00  0.00    -0.304 N 
ATOM     28  C   LIG    1        4.873  -1.158   0.341  0.00  0.00    +0.141 A 
ATOM     29  C   LIG    1        3.591  -1.051   0.954  0.00  0.00    +0.092 A 
ATOM     30  C   LIG    1        2.527  -0.632   0.232  0.00  0.00    +0.125 A 
ATOM     31  C   LIG    1        2.678  -0.287  -1.177  0.00  0.00    +0.064 A 
ATOM     32  N   LIG    1        6.034  -1.537   0.831  0.00  0.00    -0.236 NA
ATOM     33  C   LIG    1        3.884  -0.388  -1.762  0.00  0.00    +0.096 A 
ATOM     34  C   LIG    1        6.915  -1.445  -0.214  0.00  0.00    +0.134 A 
ENDBRANCH  24  30
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7