REMARK  Name = BDB021177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.582  -0.146  -0.600  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.708   0.750  -1.292  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1        0.649   0.516  -1.187  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        1.287   1.503  -1.898  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        0.287   2.291  -2.429  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1        1.191  -0.559  -0.454  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.385  -1.374   0.170  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.953   1.806  -2.047  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1       -0.972  -1.150   0.070  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -3.709  -0.417   1.840  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -3.926  -0.151   0.394  0.00  0.00    +0.044 A 
ATOM     12  N   LIG    1       -5.166   0.035  -0.186  0.00  0.00    -0.265 N 
ATOM     13  N   LIG    1       -5.092   0.327  -1.504  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1       -3.789   0.304  -1.773  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1       -3.013  -0.019  -0.644  0.00  0.00    +0.027 A 
BRANCH  12  16
ATOM     16  C   LIG    1       -6.504  -0.019   0.402  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1       -6.830   1.241   1.203  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1       -6.778  -1.297   1.194  0.00  0.00    +0.032 C 
ENDBRANCH  12  16
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  C   LIG    1        0.460   3.474  -3.266  0.00  0.00    +0.261 C 
ATOM     20  O   LIG    1        1.548   3.918  -3.613  0.00  0.00    -0.269 OA
ATOM     21  N   LIG    1       -0.717   4.057  -3.634  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -1.590   3.669  -3.296  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -0.706   4.897  -4.192  0.00  0.00    +0.145 HD
ENDBRANCH   5  19
BRANCH   6  24
ATOM     24  N   LIG    1        2.561  -0.713  -0.416  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        3.090  -0.295  -1.174  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.164  -1.931   0.094  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.643  -1.728   0.248  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.184  -0.959   1.275  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.517  -0.273   2.408  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1        5.687   0.577   2.905  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1        6.928  -0.028   2.473  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        6.558  -0.794   1.398  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1        7.452  -1.373   0.520  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1        6.932  -2.132  -0.528  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1        5.546  -2.300  -0.657  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1        5.085  -3.033  -1.680  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6