REMARK  Name = BDB016152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.561   0.175  -1.426  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -1.675   0.284  -0.526  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.401   0.166   0.840  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.520  -0.310   1.024  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.390  -0.088   1.869  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.382   1.045   1.952  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.451   0.966   0.915  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.152   0.791  -0.394  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.990   0.870  -0.958  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.636   1.119   1.227  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.983  -1.491   1.765  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.943   0.574  -1.084  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.089   0.650  -2.486  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.008   0.503  -3.346  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.750   0.279  -2.817  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        3.478  -0.543  -0.015  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        2.894   0.744   0.046  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        1.578   0.971  -0.396  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        0.817  -0.063  -0.951  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        1.407  -1.325  -1.068  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        2.715  -1.555  -0.618  0.00  0.00    +0.024 A 
BRANCH  16  23
ATOM     22  C   LIG    1        5.345  -2.109   0.463  0.00  0.00    +0.125 C 
ATOM     23  N   LIG    1        4.797  -0.763   0.419  0.00  0.00    -0.346 N 
ATOM     24  H   LIG    1        4.993  -0.253   1.279  0.00  0.00    +0.146 HD
ENDBRANCH  16  23
BRANCH  17  25
ATOM     25  C   LIG    1        3.663   1.906   0.542  0.00  0.00    +0.111 C 
ATOM     26  N   LIG    1        3.119   3.053   0.798  0.00  0.00    -0.307 NA
ATOM     27  H   LIG    1        3.837   3.713   1.119  0.00  0.00    +0.186 HD
ENDBRANCH  17  25
ENDBRANCH   1  19
TORSDOF 3