REMARK  Name = BDB016687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.568  -1.231  -1.322  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.147  -0.668  -2.541  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.113  -0.059  -2.603  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        0.987   0.001  -1.524  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        2.137   0.693  -2.020  0.00  0.00    +0.093 A 
ATOM      6  N   LIG    1        1.963   1.068  -3.296  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1        0.572  -0.567  -0.305  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1        0.759   0.581  -3.623  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1        0.424   0.731  -4.567  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.688  -1.180  -0.228  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  14
ATOM     11  O   LIG    1       -5.158  -3.468   0.172  0.00  0.00    -0.274 OA
ATOM     12  C   LIG    1       -4.825  -2.353   0.535  0.00  0.00    +0.228 C 
ATOM     13  C   LIG    1       -3.999  -1.379  -0.274  0.00  0.00    +0.081 C 
ATOM     14  C   LIG    1       -2.915  -1.905  -1.194  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1       -4.165  -1.261  -1.762  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -3.899  -0.165   0.606  0.00  0.00    -0.011 A 
ATOM     17  C   LIG    1       -4.584  -0.447   1.800  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -4.698   0.449   2.843  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -4.096   1.696   2.679  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.411   2.011   1.492  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.314   1.082   0.449  0.00  0.00    +0.006 A 
ATOM     22  N   LIG    1       -5.116  -1.737   1.739  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -5.665  -2.179   2.460  0.00  0.00    +0.155 HD
ENDBRANCH   1  14
BRANCH   5  24
ATOM     24  C   LIG    1        3.338   1.011  -1.307  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1        3.927   0.253  -0.366  0.00  0.00    +0.030 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.171   0.621   0.325  0.00  0.00    +0.064 A 
ATOM     27  N   LIG    1        5.694   1.842   0.068  0.00  0.00    -0.256 NA
ATOM     28  C   LIG    1        6.835   2.179   0.708  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        7.489   1.353   1.605  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.939   0.103   1.862  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        5.763  -0.271   1.215  0.00  0.00    +0.028 A 
ENDBRANCH  25  26
ENDBRANCH   5  24
TORSDOF 3