REMARK  Name = BDB016214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.326  -1.056   0.335  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -2.390  -0.213  -0.134  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -2.052   0.763  -1.080  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.066   1.016  -1.028  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.880   1.908  -1.411  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.179   1.468  -2.038  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -5.196   1.035  -1.036  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.893   0.150  -0.058  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.730  -0.094   0.459  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.362   1.433  -1.119  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.993   2.897  -0.253  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.697  -0.487   0.329  0.00  0.00    +0.056 A 
ATOM     13  C   LIG    1       -3.899  -1.488   1.305  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -2.853  -2.267   1.807  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -1.574  -2.054   1.299  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        2.766  -0.730  -1.075  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        2.392  -0.291   0.216  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        1.070  -0.418   0.679  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        0.063  -0.924  -0.149  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        0.411  -1.294  -1.453  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.733  -1.186  -1.908  0.00  0.00    +0.024 A 
BRANCH  16  23
ATOM     22  C   LIG    1        4.519  -1.341  -2.714  0.00  0.00    +0.125 C 
ATOM     23  N   LIG    1        4.091  -0.614  -1.530  0.00  0.00    -0.346 N 
ATOM     24  H   LIG    1        4.748  -0.733  -0.759  0.00  0.00    +0.146 HD
ENDBRANCH  16  23
BRANCH  17  25
ATOM     25  C   LIG    1        3.353   0.323   1.167  0.00  0.00    +0.044 C 
ATOM     26  N   LIG    1        3.397  -0.079   2.398  0.00  0.00    -0.303 NA
ATOM     27  H   LIG    1        4.102   0.436   2.930  0.00  0.00    +0.186 HD
BRANCH  25  28
ATOM     28  C   LIG    1        4.231   1.433   0.693  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1        4.757   2.507   1.616  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        5.694   1.468   1.067  0.00  0.00    +0.010 C 
ENDBRANCH  25  28
ENDBRANCH  17  25
ENDBRANCH   1  19
BRANCH  14  31
ATOM     31  C   LIG    1       -3.112  -3.349   2.823  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       -3.395  -4.546   2.241  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -4.169  -3.070   3.637  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -2.055  -3.573   3.651  0.00  0.00    -0.166 F 
ENDBRANCH  14  31
TORSDOF 5