REMARK  Name = BDB016215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.257   0.921   1.129  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1        2.374   0.529   0.310  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        2.164  -0.526  -0.581  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        1.369  -1.111  -0.331  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        3.204  -1.279  -1.255  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        4.011  -0.388  -2.164  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1        5.053   0.396  -1.440  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        4.752   1.120  -0.336  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        5.556   1.666  -0.048  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        6.210   0.448  -1.871  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        4.004  -2.147  -0.286  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        3.571   1.281   0.417  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1        3.666   2.307   1.375  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1        2.589   2.637   2.179  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1        2.709   3.628   3.072  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        1.390   1.967   2.059  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -2.596  -1.069   0.898  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -2.135  -0.229  -0.139  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -0.877   0.396  -0.075  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -0.060   0.253   1.051  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -0.540  -0.520   2.114  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -1.787  -1.157   2.041  0.00  0.00    +0.024 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -4.203  -2.744   1.770  0.00  0.00    +0.125 C 
ATOM     24  N   LIG    1       -3.845  -1.708   0.817  0.00  0.00    -0.346 N 
ATOM     25  H   LIG    1       -4.035  -1.997  -0.142  0.00  0.00    +0.146 HD
ENDBRANCH  17  24
BRANCH  18  26
ATOM     26  C   LIG    1       -2.940   0.070  -1.344  0.00  0.00    +0.044 C 
ATOM     27  N   LIG    1       -2.443  -0.037  -2.535  0.00  0.00    -0.303 NA
ATOM     28  H   LIG    1       -3.143   0.228  -3.236  0.00  0.00    +0.186 HD
BRANCH  26  29
ATOM     29  C   LIG    1       -4.343   0.539  -1.207  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -4.750   1.869  -1.804  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.679   1.711  -0.315  0.00  0.00    +0.010 C 
ENDBRANCH  26  29
ENDBRANCH  18  26
ENDBRANCH   1  20
TORSDOF 4