REMARK  Name = BDB036247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.226   2.586   0.163  0.00  0.00    +0.074 A 
ATOM      2  N   LIG    1       -2.779   1.363   0.482  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -1.939   0.455   0.022  0.00  0.00    +0.150 A 
ATOM      4  N   LIG    1       -0.863   1.045  -0.609  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1        0.178   0.306  -1.208  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.139  -0.997  -1.161  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1       -0.926  -1.600  -0.528  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -1.958  -0.969   0.072  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -1.034   2.408  -0.507  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.034  -1.770   0.703  0.00  0.00    -0.008 A 
ATOM     11  C   LIG    1       -2.742  -2.822   1.586  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.775  -3.550   2.174  0.00  0.00    +0.127 A 
ATOM     13  F   LIG    1       -3.476  -4.552   3.011  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -5.104  -3.256   1.910  0.00  0.00    +0.076 A 
ATOM     15  C   LIG    1       -5.394  -2.211   1.048  0.00  0.00    +0.127 A 
ATOM     16  F   LIG    1       -6.672  -1.910   0.785  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -4.379  -1.467   0.448  0.00  0.00    +0.047 A 
ENDBRANCH   8  10
BRANCH   5  18
ATOM     18  N   LIG    1        1.204   0.996  -1.824  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        0.979   1.915  -2.184  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.242   0.318  -2.585  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.253  -0.364  -1.706  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        3.853   0.240  -0.603  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.618   1.568   0.015  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        4.828   1.629   0.947  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        5.279   0.284   1.221  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        4.794  -0.441   0.163  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        5.185  -1.733  -0.121  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        4.618  -2.349  -1.234  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        3.674  -1.666  -2.014  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.175  -2.288  -3.092  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   5  18
BRANCH   1  31
ATOM     31  C   LIG    1       -2.903   3.861   0.552  0.00  0.00    +0.135 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -3.515   3.697   1.871  0.00  0.00    -0.325 NA
ATOM     33  H   LIG    1       -4.102   2.859   1.807  0.00  0.00    +0.119 HD
ATOM     34  H   LIG    1       -2.782   3.418   2.523  0.00  0.00    +0.119 HD
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 6