REMARK  Name = BDB016200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.901  -0.626  -1.206  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -3.138  -0.545  -0.497  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1       -3.263   0.467   0.451  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -2.756   1.319   0.179  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -4.378   0.709   1.343  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -5.704   0.617   0.629  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -6.151  -0.798   0.455  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -5.351  -1.705  -0.160  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.841  -2.579  -0.300  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -7.276  -1.155   0.815  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.252  -0.142   2.606  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -4.059  -1.594  -0.710  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.723  -2.665  -1.569  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.516  -2.704  -2.261  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.606  -1.676  -2.092  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        0.414  -0.033  -0.811  0.00  0.00    -0.280 N 
ATOM     17  H   LIG    1        0.524  -1.032  -0.687  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -0.867   0.438  -1.030  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1       -1.218   1.612  -1.061  0.00  0.00    -0.270 OA
BRANCH  16  22
ATOM     20  C   LIG    1        3.963   0.786  -0.182  0.00  0.00    +0.141 A 
ATOM     21  C   LIG    1        2.772   0.078  -0.353  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1        1.579   0.747  -0.642  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        1.639   2.132  -0.751  0.00  0.00    +0.134 A 
ATOM     24  N   LIG    1        2.776   2.856  -0.589  0.00  0.00    -0.258 NA
ATOM     25  C   LIG    1        3.907   2.166  -0.305  0.00  0.00    +0.156 A 
BRANCH  20  26
ATOM     26  O   LIG    1        5.055   0.019   0.101  0.00  0.00    -0.488 OA
BRANCH  26  28
ATOM     27  C   LIG    1        6.573   1.137   1.622  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        6.338   0.647   0.197  0.00  0.00    +0.167 C 
ATOM     29  C   LIG    1        7.374  -0.414  -0.167  0.00  0.00    +0.051 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 4