REMARK  Name = BDB027878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.644  -1.483   0.513  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.508  -1.935   1.528  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.718  -1.251   1.642  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -3.583  -1.696   2.632  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -3.352  -2.720   3.495  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -2.169  -3.344   3.374  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -3.048  -0.219   0.856  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -2.152   0.160  -0.066  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1       -1.228  -2.996   2.423  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.965  -0.439  -0.267  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.499   1.321  -0.908  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -1.645   1.785  -1.916  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -2.017   2.882  -2.672  0.00  0.00    +0.214 A 
ATOM     14  F   LIG    1       -1.180   3.308  -3.629  0.00  0.00    -0.184 F 
ATOM     15  N   LIG    1       -3.170   3.557  -2.511  0.00  0.00    -0.228 NA
ATOM     16  C   LIG    1       -3.991   3.108  -1.544  0.00  0.00    +0.114 A 
ATOM     17  C   LIG    1       -3.705   2.018  -0.735  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1        0.577  -2.147   0.336  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1        0.367  -3.134   0.199  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.671  -1.714  -0.557  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1        2.644  -2.928  -0.610  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1        1.215  -1.472  -2.002  0.00  0.00    +0.031 C 
BRANCH  20  23
ATOM     23  C   LIG    1        2.496  -0.540   0.040  0.00  0.00    +0.040 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.798   0.821   0.153  0.00  0.00    +0.086 C 
BRANCH  24  26
ATOM     25  C   LIG    1        3.635   2.322  -0.424  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1        2.706   1.890   0.625  0.00  0.00    -0.308 NA
ATOM     27  C   LIG    1        1.918   3.042   1.077  0.00  0.00    +0.104 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6