!!index array str "d" !entry.d.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C1" "ca" 0 1 131073 1 6 0.032700 "H1" "ha" 0 1 131073 2 1 0.066800 "C2" "c" 0 1 131073 3 6 0.295900 "C3" "ca" 0 1 131073 4 6 -0.422800 "H2" "ha" 0 1 131073 5 1 0.143000 "C4" "ca" 0 1 131073 6 6 -0.061400 "H3" "ha" 0 1 131073 7 1 0.273700 "C5" "c" 0 1 131073 8 6 0.047100 "C6" "ca" 0 1 131073 9 6 -0.361400 "H4" "ha" 0 1 131073 10 1 0.145200 "S1" "sh" 0 1 131073 11 16 -0.141900 "O1" "os" 0 1 131073 12 8 -0.016900 "C1" "c3" 0 2 131073 1 6 0.084000 "C2" "ca" 0 2 131073 2 6 -0.105000 "H2" "ha" 0 2 131073 3 1 0.107600 "C3" "ca" 0 2 131073 4 6 0.051000 "C4" "ca" 0 2 131073 5 6 -0.104900 "H3" "ha" 0 2 131073 6 1 0.107600 "C5" "c" 0 2 131073 7 6 -0.544300 "C6" "c" 0 2 131073 8 6 0.875100 "C7" "c" 0 2 131073 9 6 -0.544300 "O1" "os" 0 2 131073 10 8 0.010500 "O2" "os" 0 2 131073 11 8 0.052100 "O3" "os" 0 2 131073 12 8 0.010500 "C1" "c" 0 3 131073 1 6 -0.027700 "C2" "ca" 0 3 131073 2 6 -0.155600 "H2" "ha" 0 3 131073 3 1 0.246700 "C3" "ca" 0 3 131073 4 6 0.021900 "C4" "ca" 0 3 131073 5 6 -0.379200 "H3" "ha" 0 3 131073 6 1 0.110400 "C5" "c" 0 3 131073 7 6 0.283000 "C6" "ca" 0 3 131073 8 6 -0.354000 "H1" "ha" 0 3 131073 9 1 0.246800 "C7" "c3" 0 3 131073 10 6 0.080500 "O1" "os" 0 3 131073 11 8 -0.048300 "O2" "os" 0 3 131073 12 8 -0.024600 "C1" "ca" 0 4 131073 1 6 0.068400 "C2" "ca" 0 4 131073 2 6 -0.130100 "H1" "ha" 0 4 131073 3 1 0.123100 "C3" "ca" 0 4 131073 4 6 -0.197300 "H2" "ha" 0 4 131073 5 1 0.163900 "C4" "ca" 0 4 131073 6 6 0.011800 "C5" "ca" 0 4 131073 7 6 -0.104900 "H3" "ha" 0 4 131073 8 1 0.149400 "C6" "ca" 0 4 131073 9 6 -0.262500 "H4" "ha" 0 4 131073 10 1 0.164200 "C7" "c3" 0 4 131073 11 6 0.075000 "C8" "c" 0 4 131073 12 6 0.702400 "O1" "oh" 0 4 131073 13 8 -0.649300 "H7" "ho" 0 4 131073 14 1 0.464000 "O2" "o" 0 4 131073 15 8 -0.578100 "C1" "ca" 0 5 131073 1 6 0.068400 "C2" "ca" 0 5 131073 2 6 -0.130100 "H1" "ha" 0 5 131073 3 1 0.123100 "C3" "ca" 0 5 131073 4 6 -0.197300 "H2" "ha" 0 5 131073 5 1 0.163900 "C4" "ca" 0 5 131073 6 6 0.011800 "C5" "ca" 0 5 131073 7 6 -0.104900 "H3" "ha" 0 5 131073 8 1 0.149400 "C6" "ca" 0 5 131073 9 6 -0.262500 "H4" "ha" 0 5 131073 10 1 0.164200 "C7" "c3" 0 5 131073 11 6 0.075000 "C8" "c" 0 5 131073 12 6 0.702400 "O1" "oh" 0 5 131073 13 8 -0.649300 "H7" "ho" 0 5 131073 14 1 0.464000 "O2" "o" 0 5 131073 15 8 -0.578100 "C1" "c" 0 6 131073 1 6 -0.027700 "C2" "ca" 0 6 131073 2 6 -0.155600 "H2" "ha" 0 6 131073 3 1 0.246700 "C3" "ca" 0 6 131073 4 6 0.021900 "C4" "ca" 0 6 131073 5 6 -0.379200 "H3" "ha" 0 6 131073 6 1 0.110400 "C5" "c" 0 6 131073 7 6 0.283000 "C6" "ca" 0 6 131073 8 6 -0.354000 "H1" "ha" 0 6 131073 9 1 0.246800 "C7" "c3" 0 6 131073 10 6 0.080500 "O1" "os" 0 6 131073 11 8 -0.048300 "O2" "os" 0 6 131073 12 8 -0.024600 "C1" "ca" 0 7 131073 1 6 0.068400 "C2" "ca" 0 7 131073 2 6 -0.130100 "H1" "ha" 0 7 131073 3 1 0.123100 "C3" "ca" 0 7 131073 4 6 -0.197300 "H2" "ha" 0 7 131073 5 1 0.163900 "C4" "ca" 0 7 131073 6 6 0.011800 "C5" "ca" 0 7 131073 7 6 -0.104900 "H3" "ha" 0 7 131073 8 1 0.149400 "C6" "ca" 0 7 131073 9 6 -0.262500 "H4" "ha" 0 7 131073 10 1 0.164200 "C7" "c3" 0 7 131073 11 6 0.075000 "C8" "c" 0 7 131073 12 6 0.702400 "O1" "oh" 0 7 131073 13 8 -0.649300 "H7" "ho" 0 7 131073 14 1 0.464000 "O2" "o" 0 7 131073 15 8 -0.578100 "C1" "ca" 0 8 131073 1 6 0.068400 "C2" "ca" 0 8 131073 2 6 -0.130100 "H1" "ha" 0 8 131073 3 1 0.123100 "C3" "ca" 0 8 131073 4 6 -0.197300 "H2" "ha" 0 8 131073 5 1 0.163900 "C4" "ca" 0 8 131073 6 6 0.011800 "C5" "ca" 0 8 131073 7 6 -0.104900 "H3" "ha" 0 8 131073 8 1 0.149400 "C6" "ca" 0 8 131073 9 6 -0.262500 "H4" "ha" 0 8 131073 10 1 0.164200 "C7" "c3" 0 8 131073 11 6 0.075000 "C8" "c" 0 8 131073 12 6 0.702400 "O1" "oh" 0 8 131073 13 8 -0.649300 "H7" "ho" 0 8 131073 14 1 0.464000 "O2" "o" 0 8 131073 15 8 -0.578100 "C1" "c" 0 9 131073 1 6 -0.027700 "C2" "ca" 0 9 131073 2 6 -0.155600 "H2" "ha" 0 9 131073 3 1 0.246700 "C3" "ca" 0 9 131073 4 6 0.021900 "C4" "ca" 0 9 131073 5 6 -0.379200 "H3" "ha" 0 9 131073 6 1 0.110400 "C5" "c" 0 9 131073 7 6 0.283000 "C6" "ca" 0 9 131073 8 6 -0.354000 "H1" "ha" 0 9 131073 9 1 0.246800 "C7" "c3" 0 9 131073 10 6 0.080500 "O1" "os" 0 9 131073 11 8 -0.048300 "O2" "os" 0 9 131073 12 8 -0.024600 "C1" "ca" 0 10 131073 1 6 0.068400 "C2" "ca" 0 10 131073 2 6 -0.130100 "H1" "ha" 0 10 131073 3 1 0.123100 "C3" "ca" 0 10 131073 4 6 -0.197300 "H2" "ha" 0 10 131073 5 1 0.163900 "C4" "ca" 0 10 131073 6 6 0.011800 "C5" "ca" 0 10 131073 7 6 -0.104900 "H3" "ha" 0 10 131073 8 1 0.149400 "C6" "ca" 0 10 131073 9 6 -0.262500 "H4" "ha" 0 10 131073 10 1 0.164200 "C7" "c3" 0 10 131073 11 6 0.075000 "C8" "c" 0 10 131073 12 6 0.702400 "O1" "oh" 0 10 131073 13 8 -0.649300 "H7" "ho" 0 10 131073 14 1 0.464000 "O2" "o" 0 10 131073 15 8 -0.578100 "C1" "ca" 0 11 131073 1 6 0.068400 "C2" "ca" 0 11 131073 2 6 -0.130100 "H1" "ha" 0 11 131073 3 1 0.123100 "C3" "ca" 0 11 131073 4 6 -0.197300 "H2" "ha" 0 11 131073 5 1 0.163900 "C4" "ca" 0 11 131073 6 6 0.011800 "C5" "ca" 0 11 131073 7 6 -0.104900 "H3" "ha" 0 11 131073 8 1 0.149400 "C6" "ca" 0 11 131073 9 6 -0.262500 "H4" "ha" 0 11 131073 10 1 0.164200 "C7" "c3" 0 11 131073 11 6 0.075000 "C8" "c" 0 11 131073 12 6 0.702400 "O1" "oh" 0 11 131073 13 8 -0.649300 "H7" "ho" 0 11 131073 14 1 0.464000 "O2" "o" 0 11 131073 15 8 -0.578100 "FE1" "FS" 0 12 131073 1 26 0.635000 "FE2" "FS" 0 12 131073 2 26 0.635000 "FE3" "FS" 0 12 131073 3 26 0.635000 "FE4" "FS" 0 12 131073 4 26 0.635000 "S1" "SB" 0 12 131073 5 16 -0.572000 "S2" "SB" 0 12 131073 6 16 -0.572000 "S3" "SB" 0 12 131073 7 16 -0.572000 "S4" "SB" 0 12 131073 8 16 -0.572000 "C1" "ca" 0 13 131073 1 6 0.032700 "H1" "ha" 0 13 131073 2 1 0.066800 "C2" "c" 0 13 131073 3 6 0.295900 "C3" "ca" 0 13 131073 4 6 -0.422800 "H2" "ha" 0 13 131073 5 1 0.143000 "C4" "ca" 0 13 131073 6 6 -0.061400 "H3" "ha" 0 13 131073 7 1 0.273700 "C5" "c" 0 13 131073 8 6 0.047100 "C6" "ca" 0 13 131073 9 6 -0.361400 "H4" "ha" 0 13 131073 10 1 0.145200 "S1" "sh" 0 13 131073 11 16 -0.141900 "O1" "os" 0 13 131073 12 8 -0.016900 "C1" "c3" 0 14 131073 1 6 0.084000 "C2" "ca" 0 14 131073 2 6 -0.105000 "H2" "ha" 0 14 131073 3 1 0.107600 "C3" "ca" 0 14 131073 4 6 0.051000 "C4" "ca" 0 14 131073 5 6 -0.104900 "H3" "ha" 0 14 131073 6 1 0.107600 "C5" "c" 0 14 131073 7 6 -0.544300 "C6" "c" 0 14 131073 8 6 0.875100 "C7" "c" 0 14 131073 9 6 -0.544300 "O1" "os" 0 14 131073 10 8 0.010500 "O2" "os" 0 14 131073 11 8 0.052100 "O3" "os" 0 14 131073 12 8 0.010500 "C1" "c" 0 15 131073 1 6 -0.027700 "C2" "ca" 0 15 131073 2 6 -0.155600 "H2" "ha" 0 15 131073 3 1 0.246700 "C3" "ca" 0 15 131073 4 6 0.021900 "C4" "ca" 0 15 131073 5 6 -0.379200 "H3" "ha" 0 15 131073 6 1 0.110400 "C5" "c" 0 15 131073 7 6 0.283000 "C6" "ca" 0 15 131073 8 6 -0.354000 "H1" "ha" 0 15 131073 9 1 0.246800 "C7" "c3" 0 15 131073 10 6 0.080500 "O1" "os" 0 15 131073 11 8 -0.048300 "O2" "os" 0 15 131073 12 8 -0.024600 "C1" "ca" 0 16 131073 1 6 0.068400 "C2" "ca" 0 16 131073 2 6 -0.130100 "H1" "ha" 0 16 131073 3 1 0.123100 "C3" "ca" 0 16 131073 4 6 -0.197300 "H2" "ha" 0 16 131073 5 1 0.163900 "C4" "ca" 0 16 131073 6 6 0.011800 "C5" "ca" 0 16 131073 7 6 -0.104900 "H3" "ha" 0 16 131073 8 1 0.149400 "C6" "ca" 0 16 131073 9 6 -0.262500 "H4" "ha" 0 16 131073 10 1 0.164200 "C7" "c3" 0 16 131073 11 6 0.075000 "C8" "c" 0 16 131073 12 6 0.702400 "O1" "oh" 0 16 131073 13 8 -0.649300 "H7" "ho" 0 16 131073 14 1 0.464000 "O2" "o" 0 16 131073 15 8 -0.578100 "C1" "ca" 0 17 131073 1 6 0.068400 "C2" "ca" 0 17 131073 2 6 -0.130100 "H1" "ha" 0 17 131073 3 1 0.123100 "C3" "ca" 0 17 131073 4 6 -0.197300 "H2" "ha" 0 17 131073 5 1 0.163900 "C4" "ca" 0 17 131073 6 6 0.011800 "C5" "ca" 0 17 131073 7 6 -0.104900 "H3" "ha" 0 17 131073 8 1 0.149400 "C6" "ca" 0 17 131073 9 6 -0.262500 "H4" "ha" 0 17 131073 10 1 0.164200 "C7" "c3" 0 17 131073 11 6 0.075000 "C8" "c" 0 17 131073 12 6 0.702400 "O1" "oh" 0 17 131073 13 8 -0.649300 "H7" "ho" 0 17 131073 14 1 0.464000 "O2" "o" 0 17 131073 15 8 -0.578100 "C1" "c" 0 18 131073 1 6 -0.027700 "C2" "ca" 0 18 131073 2 6 -0.155600 "H2" "ha" 0 18 131073 3 1 0.246700 "C3" "ca" 0 18 131073 4 6 0.021900 "C4" "ca" 0 18 131073 5 6 -0.379200 "H3" "ha" 0 18 131073 6 1 0.110400 "C5" "c" 0 18 131073 7 6 0.283000 "C6" "ca" 0 18 131073 8 6 -0.354000 "H1" "ha" 0 18 131073 9 1 0.246800 "C7" "c3" 0 18 131073 10 6 0.080500 "O1" "os" 0 18 131073 11 8 -0.048300 "O2" "os" 0 18 131073 12 8 -0.024600 "C1" "ca" 0 19 131073 1 6 0.068400 "C2" "ca" 0 19 131073 2 6 -0.130100 "H1" "ha" 0 19 131073 3 1 0.123100 "C3" "ca" 0 19 131073 4 6 -0.197300 "H2" "ha" 0 19 131073 5 1 0.163900 "C4" "ca" 0 19 131073 6 6 0.011800 "C5" "ca" 0 19 131073 7 6 -0.104900 "H3" "ha" 0 19 131073 8 1 0.149400 "C6" "ca" 0 19 131073 9 6 -0.262500 "H4" "ha" 0 19 131073 10 1 0.164200 "C7" "c3" 0 19 131073 11 6 0.075000 "C8" "c" 0 19 131073 12 6 0.702400 "O1" "oh" 0 19 131073 13 8 -0.649300 "H7" "ho" 0 19 131073 14 1 0.464000 "O2" "o" 0 19 131073 15 8 -0.578100 "C1" "ca" 0 20 131073 1 6 0.068400 "C2" "ca" 0 20 131073 2 6 -0.130100 "H1" "ha" 0 20 131073 3 1 0.123100 "C3" "ca" 0 20 131073 4 6 -0.197300 "H2" "ha" 0 20 131073 5 1 0.163900 "C4" "ca" 0 20 131073 6 6 0.011800 "C5" "ca" 0 20 131073 7 6 -0.104900 "H3" "ha" 0 20 131073 8 1 0.149400 "C6" "ca" 0 20 131073 9 6 -0.262500 "H4" "ha" 0 20 131073 10 1 0.164200 "C7" "c3" 0 20 131073 11 6 0.075000 "C8" "c" 0 20 131073 12 6 0.702400 "O1" "oh" 0 20 131073 13 8 -0.649300 "H7" "ho" 0 20 131073 14 1 0.464000 "O2" "o" 0 20 131073 15 8 -0.578100 "C1" "c" 0 21 131073 1 6 -0.027700 "C2" "ca" 0 21 131073 2 6 -0.155600 "H2" "ha" 0 21 131073 3 1 0.246700 "C3" "ca" 0 21 131073 4 6 0.021900 "C4" "ca" 0 21 131073 5 6 -0.379200 "H3" "ha" 0 21 131073 6 1 0.110400 "C5" "c" 0 21 131073 7 6 0.283000 "C6" "ca" 0 21 131073 8 6 -0.354000 "H1" "ha" 0 21 131073 9 1 0.246800 "C7" "c3" 0 21 131073 10 6 0.080500 "O1" "os" 0 21 131073 11 8 -0.048300 "O2" "os" 0 21 131073 12 8 -0.024600 "C1" "ca" 0 22 131073 1 6 0.068400 "C2" "ca" 0 22 131073 2 6 -0.130100 "H1" "ha" 0 22 131073 3 1 0.123100 "C3" "ca" 0 22 131073 4 6 -0.197300 "H2" "ha" 0 22 131073 5 1 0.163900 "C4" "ca" 0 22 131073 6 6 0.011800 "C5" "ca" 0 22 131073 7 6 -0.104900 "H3" "ha" 0 22 131073 8 1 0.149400 "C6" "ca" 0 22 131073 9 6 -0.262500 "H4" "ha" 0 22 131073 10 1 0.164200 "C7" "c3" 0 22 131073 11 6 0.075000 "C8" "c" 0 22 131073 12 6 0.702400 "O1" "oh" 0 22 131073 13 8 -0.649300 "H7" "ho" 0 22 131073 14 1 0.464000 "O2" "o" 0 22 131073 15 8 -0.578100 "C1" "ca" 0 23 131073 1 6 0.068400 "C2" "ca" 0 23 131073 2 6 -0.130100 "H1" "ha" 0 23 131073 3 1 0.123100 "C3" "ca" 0 23 131073 4 6 -0.197300 "H2" "ha" 0 23 131073 5 1 0.163900 "C4" "ca" 0 23 131073 6 6 0.011800 "C5" "ca" 0 23 131073 7 6 -0.104900 "H3" "ha" 0 23 131073 8 1 0.149400 "C6" "ca" 0 23 131073 9 6 -0.262500 "H4" "ha" 0 23 131073 10 1 0.164200 "C7" "c3" 0 23 131073 11 6 0.075000 "C8" "c" 0 23 131073 12 6 0.702400 "O1" "oh" 0 23 131073 13 8 -0.649300 "H7" "ho" 0 23 131073 14 1 0.464000 "O2" "o" 0 23 131073 15 8 -0.578100 "C1" "ca" 0 24 131073 1 6 0.032700 "H1" "ha" 0 24 131073 2 1 0.066800 "C2" "c" 0 24 131073 3 6 0.295900 "C3" "ca" 0 24 131073 4 6 -0.422800 "H2" "ha" 0 24 131073 5 1 0.143000 "C4" "ca" 0 24 131073 6 6 -0.061400 "H3" "ha" 0 24 131073 7 1 0.273700 "C5" "c" 0 24 131073 8 6 0.047100 "C6" "ca" 0 24 131073 9 6 -0.361400 "H4" "ha" 0 24 131073 10 1 0.145200 "S1" "sh" 0 24 131073 11 16 -0.141900 "O1" "os" 0 24 131073 12 8 -0.016900 "C1" "c3" 0 25 131073 1 6 0.084000 "C2" "ca" 0 25 131073 2 6 -0.105000 "H2" "ha" 0 25 131073 3 1 0.107600 "C3" "ca" 0 25 131073 4 6 0.051000 "C4" "ca" 0 25 131073 5 6 -0.104900 "H3" "ha" 0 25 131073 6 1 0.107600 "C5" "c" 0 25 131073 7 6 -0.544300 "C6" "c" 0 25 131073 8 6 0.875100 "C7" "c" 0 25 131073 9 6 -0.544300 "O1" "os" 0 25 131073 10 8 0.010500 "O2" "os" 0 25 131073 11 8 0.052100 "O3" "os" 0 25 131073 12 8 0.010500 "C1" "c" 0 26 131073 1 6 -0.027700 "C2" "ca" 0 26 131073 2 6 -0.155600 "H2" "ha" 0 26 131073 3 1 0.246700 "C3" "ca" 0 26 131073 4 6 0.021900 "C4" "ca" 0 26 131073 5 6 -0.379200 "H3" "ha" 0 26 131073 6 1 0.110400 "C5" "c" 0 26 131073 7 6 0.283000 "C6" "ca" 0 26 131073 8 6 -0.354000 "H1" "ha" 0 26 131073 9 1 0.246800 "C7" "c3" 0 26 131073 10 6 0.080500 "O1" "os" 0 26 131073 11 8 -0.048300 "O2" "os" 0 26 131073 12 8 -0.024600 "C1" "ca" 0 27 131073 1 6 0.068400 "C2" "ca" 0 27 131073 2 6 -0.130100 "H1" "ha" 0 27 131073 3 1 0.123100 "C3" "ca" 0 27 131073 4 6 -0.197300 "H2" "ha" 0 27 131073 5 1 0.163900 "C4" "ca" 0 27 131073 6 6 0.011800 "C5" "ca" 0 27 131073 7 6 -0.104900 "H3" "ha" 0 27 131073 8 1 0.149400 "C6" "ca" 0 27 131073 9 6 -0.262500 "H4" "ha" 0 27 131073 10 1 0.164200 "C7" "c3" 0 27 131073 11 6 0.075000 "C8" "c" 0 27 131073 12 6 0.702400 "O1" "oh" 0 27 131073 13 8 -0.649300 "H7" "ho" 0 27 131073 14 1 0.464000 "O2" "o" 0 27 131073 15 8 -0.578100 "C1" "ca" 0 28 131073 1 6 0.068400 "C2" "ca" 0 28 131073 2 6 -0.130100 "H1" "ha" 0 28 131073 3 1 0.123100 "C3" "ca" 0 28 131073 4 6 -0.197300 "H2" "ha" 0 28 131073 5 1 0.163900 "C4" "ca" 0 28 131073 6 6 0.011800 "C5" "ca" 0 28 131073 7 6 -0.104900 "H3" "ha" 0 28 131073 8 1 0.149400 "C6" "ca" 0 28 131073 9 6 -0.262500 "H4" "ha" 0 28 131073 10 1 0.164200 "C7" "c3" 0 28 131073 11 6 0.075000 "C8" "c" 0 28 131073 12 6 0.702400 "O1" "oh" 0 28 131073 13 8 -0.649300 "H7" "ho" 0 28 131073 14 1 0.464000 "O2" "o" 0 28 131073 15 8 -0.578100 "C1" "c" 0 29 131073 1 6 -0.027700 "C2" "ca" 0 29 131073 2 6 -0.155600 "H2" "ha" 0 29 131073 3 1 0.246700 "C3" "ca" 0 29 131073 4 6 0.021900 "C4" "ca" 0 29 131073 5 6 -0.379200 "H3" "ha" 0 29 131073 6 1 0.110400 "C5" "c" 0 29 131073 7 6 0.283000 "C6" "ca" 0 29 131073 8 6 -0.354000 "H1" "ha" 0 29 131073 9 1 0.246800 "C7" "c3" 0 29 131073 10 6 0.080500 "O1" "os" 0 29 131073 11 8 -0.048300 "O2" "os" 0 29 131073 12 8 -0.024600 "C1" "ca" 0 30 131073 1 6 0.068400 "C2" "ca" 0 30 131073 2 6 -0.130100 "H1" "ha" 0 30 131073 3 1 0.123100 "C3" "ca" 0 30 131073 4 6 -0.197300 "H2" "ha" 0 30 131073 5 1 0.163900 "C4" "ca" 0 30 131073 6 6 0.011800 "C5" "ca" 0 30 131073 7 6 -0.104900 "H3" "ha" 0 30 131073 8 1 0.149400 "C6" "ca" 0 30 131073 9 6 -0.262500 "H4" "ha" 0 30 131073 10 1 0.164200 "C7" "c3" 0 30 131073 11 6 0.075000 "C8" "c" 0 30 131073 12 6 0.702400 "O1" "oh" 0 30 131073 13 8 -0.649300 "H7" "ho" 0 30 131073 14 1 0.464000 "O2" "o" 0 30 131073 15 8 -0.578100 "C1" "ca" 0 31 131073 1 6 0.068400 "C2" "ca" 0 31 131073 2 6 -0.130100 "H1" "ha" 0 31 131073 3 1 0.123100 "C3" "ca" 0 31 131073 4 6 -0.197300 "H2" "ha" 0 31 131073 5 1 0.163900 "C4" "ca" 0 31 131073 6 6 0.011800 "C5" "ca" 0 31 131073 7 6 -0.104900 "H3" "ha" 0 31 131073 8 1 0.149400 "C6" "ca" 0 31 131073 9 6 -0.262500 "H4" "ha" 0 31 131073 10 1 0.164200 "C7" "c3" 0 31 131073 11 6 0.075000 "C8" "c" 0 31 131073 12 6 0.702400 "O1" "oh" 0 31 131073 13 8 -0.649300 "H7" "ho" 0 31 131073 14 1 0.464000 "O2" "o" 0 31 131073 15 8 -0.578100 "C1" "c" 0 32 131073 1 6 -0.027700 "C2" "ca" 0 32 131073 2 6 -0.155600 "H2" "ha" 0 32 131073 3 1 0.246700 "C3" "ca" 0 32 131073 4 6 0.021900 "C4" "ca" 0 32 131073 5 6 -0.379200 "H3" "ha" 0 32 131073 6 1 0.110400 "C5" "c" 0 32 131073 7 6 0.283000 "C6" "ca" 0 32 131073 8 6 -0.354000 "H1" "ha" 0 32 131073 9 1 0.246800 "C7" "c3" 0 32 131073 10 6 0.080500 "O1" "os" 0 32 131073 11 8 -0.048300 "O2" "os" 0 32 131073 12 8 -0.024600 "C1" "ca" 0 33 131073 1 6 0.068400 "C2" "ca" 0 33 131073 2 6 -0.130100 "H1" "ha" 0 33 131073 3 1 0.123100 "C3" "ca" 0 33 131073 4 6 -0.197300 "H2" "ha" 0 33 131073 5 1 0.163900 "C4" "ca" 0 33 131073 6 6 0.011800 "C5" "ca" 0 33 131073 7 6 -0.104900 "H3" "ha" 0 33 131073 8 1 0.149400 "C6" "ca" 0 33 131073 9 6 -0.262500 "H4" "ha" 0 33 131073 10 1 0.164200 "C7" "c3" 0 33 131073 11 6 0.075000 "C8" "c" 0 33 131073 12 6 0.702400 "O1" "oh" 0 33 131073 13 8 -0.649300 "H7" "ho" 0 33 131073 14 1 0.464000 "O2" "o" 0 33 131073 15 8 -0.578100 "C1" "ca" 0 34 131073 1 6 0.068400 "C2" "ca" 0 34 131073 2 6 -0.130100 "H1" "ha" 0 34 131073 3 1 0.123100 "C3" "ca" 0 34 131073 4 6 -0.197300 "H2" "ha" 0 34 131073 5 1 0.163900 "C4" "ca" 0 34 131073 6 6 0.011800 "C5" "ca" 0 34 131073 7 6 -0.104900 "H3" "ha" 0 34 131073 8 1 0.149400 "C6" "ca" 0 34 131073 9 6 -0.262500 "H4" "ha" 0 34 131073 10 1 0.164200 "C7" "c3" 0 34 131073 11 6 0.075000 "C8" "c" 0 34 131073 12 6 0.702400 "O1" "oh" 0 34 131073 13 8 -0.649300 "H7" "ho" 0 34 131073 14 1 0.464000 "O2" "o" 0 34 131073 15 8 -0.578100 "C1" "ca" 0 35 131073 1 6 0.032700 "H1" "ha" 0 35 131073 2 1 0.066800 "C2" "c" 0 35 131073 3 6 0.295900 "C3" "ca" 0 35 131073 4 6 -0.422800 "H2" "ha" 0 35 131073 5 1 0.143000 "C4" "ca" 0 35 131073 6 6 -0.061400 "H3" "ha" 0 35 131073 7 1 0.273700 "C5" "c" 0 35 131073 8 6 0.047100 "C6" "ca" 0 35 131073 9 6 -0.361400 "H4" "ha" 0 35 131073 10 1 0.145200 "S1" "sh" 0 35 131073 11 16 -0.141900 "O1" "os" 0 35 131073 12 8 -0.016900 "C1" "c3" 0 36 131073 1 6 0.084000 "C2" "ca" 0 36 131073 2 6 -0.105000 "H2" "ha" 0 36 131073 3 1 0.107600 "C3" "ca" 0 36 131073 4 6 0.051000 "C4" "ca" 0 36 131073 5 6 -0.104900 "H3" "ha" 0 36 131073 6 1 0.107600 "C5" "c" 0 36 131073 7 6 -0.544300 "C6" "c" 0 36 131073 8 6 0.875100 "C7" "c" 0 36 131073 9 6 -0.544300 "O1" "os" 0 36 131073 10 8 0.010500 "O2" "os" 0 36 131073 11 8 0.052100 "O3" "os" 0 36 131073 12 8 0.010500 "C1" "c" 0 37 131073 1 6 -0.027700 "C2" "ca" 0 37 131073 2 6 -0.155600 "H2" "ha" 0 37 131073 3 1 0.246700 "C3" "ca" 0 37 131073 4 6 0.021900 "C4" "ca" 0 37 131073 5 6 -0.379200 "H3" "ha" 0 37 131073 6 1 0.110400 "C5" "c" 0 37 131073 7 6 0.283000 "C6" "ca" 0 37 131073 8 6 -0.354000 "H1" "ha" 0 37 131073 9 1 0.246800 "C7" "c3" 0 37 131073 10 6 0.080500 "O1" "os" 0 37 131073 11 8 -0.048300 "O2" "os" 0 37 131073 12 8 -0.024600 "C1" "ca" 0 38 131073 1 6 0.068400 "C2" "ca" 0 38 131073 2 6 -0.130100 "H1" "ha" 0 38 131073 3 1 0.123100 "C3" "ca" 0 38 131073 4 6 -0.197300 "H2" "ha" 0 38 131073 5 1 0.163900 "C4" "ca" 0 38 131073 6 6 0.011800 "C5" "ca" 0 38 131073 7 6 -0.104900 "H3" "ha" 0 38 131073 8 1 0.149400 "C6" "ca" 0 38 131073 9 6 -0.262500 "H4" "ha" 0 38 131073 10 1 0.164200 "C7" "c3" 0 38 131073 11 6 0.075000 "C8" "c" 0 38 131073 12 6 0.702400 "O1" "oh" 0 38 131073 13 8 -0.649300 "H7" "ho" 0 38 131073 14 1 0.464000 "O2" "o" 0 38 131073 15 8 -0.578100 "C1" "ca" 0 39 131073 1 6 0.068400 "C2" "ca" 0 39 131073 2 6 -0.130100 "H1" "ha" 0 39 131073 3 1 0.123100 "C3" "ca" 0 39 131073 4 6 -0.197300 "H2" "ha" 0 39 131073 5 1 0.163900 "C4" "ca" 0 39 131073 6 6 0.011800 "C5" "ca" 0 39 131073 7 6 -0.104900 "H3" "ha" 0 39 131073 8 1 0.149400 "C6" "ca" 0 39 131073 9 6 -0.262500 "H4" "ha" 0 39 131073 10 1 0.164200 "C7" "c3" 0 39 131073 11 6 0.075000 "C8" "c" 0 39 131073 12 6 0.702400 "O1" "oh" 0 39 131073 13 8 -0.649300 "H7" "ho" 0 39 131073 14 1 0.464000 "O2" "o" 0 39 131073 15 8 -0.578100 "C1" "c" 0 40 131073 1 6 -0.027700 "C2" "ca" 0 40 131073 2 6 -0.155600 "H2" "ha" 0 40 131073 3 1 0.246700 "C3" "ca" 0 40 131073 4 6 0.021900 "C4" "ca" 0 40 131073 5 6 -0.379200 "H3" "ha" 0 40 131073 6 1 0.110400 "C5" "c" 0 40 131073 7 6 0.283000 "C6" "ca" 0 40 131073 8 6 -0.354000 "H1" "ha" 0 40 131073 9 1 0.246800 "C7" "c3" 0 40 131073 10 6 0.080500 "O1" "os" 0 40 131073 11 8 -0.048300 "O2" "os" 0 40 131073 12 8 -0.024600 "C1" "ca" 0 41 131073 1 6 0.068400 "C2" "ca" 0 41 131073 2 6 -0.130100 "H1" "ha" 0 41 131073 3 1 0.123100 "C3" "ca" 0 41 131073 4 6 -0.197300 "H2" "ha" 0 41 131073 5 1 0.163900 "C4" "ca" 0 41 131073 6 6 0.011800 "C5" "ca" 0 41 131073 7 6 -0.104900 "H3" "ha" 0 41 131073 8 1 0.149400 "C6" "ca" 0 41 131073 9 6 -0.262500 "H4" "ha" 0 41 131073 10 1 0.164200 "C7" "c3" 0 41 131073 11 6 0.075000 "C8" "c" 0 41 131073 12 6 0.702400 "O1" "oh" 0 41 131073 13 8 -0.649300 "H7" "ho" 0 41 131073 14 1 0.464000 "O2" "o" 0 41 131073 15 8 -0.578100 "C1" "ca" 0 42 131073 1 6 0.068400 "C2" "ca" 0 42 131073 2 6 -0.130100 "H1" "ha" 0 42 131073 3 1 0.123100 "C3" "ca" 0 42 131073 4 6 -0.197300 "H2" "ha" 0 42 131073 5 1 0.163900 "C4" "ca" 0 42 131073 6 6 0.011800 "C5" "ca" 0 42 131073 7 6 -0.104900 "H3" "ha" 0 42 131073 8 1 0.149400 "C6" "ca" 0 42 131073 9 6 -0.262500 "H4" "ha" 0 42 131073 10 1 0.164200 "C7" "c3" 0 42 131073 11 6 0.075000 "C8" "c" 0 42 131073 12 6 0.702400 "O1" "oh" 0 42 131073 13 8 -0.649300 "H7" "ho" 0 42 131073 14 1 0.464000 "O2" "o" 0 42 131073 15 8 -0.578100 "C1" "c" 0 43 131073 1 6 -0.027700 "C2" "ca" 0 43 131073 2 6 -0.155600 "H2" "ha" 0 43 131073 3 1 0.246700 "C3" "ca" 0 43 131073 4 6 0.021900 "C4" "ca" 0 43 131073 5 6 -0.379200 "H3" "ha" 0 43 131073 6 1 0.110400 "C5" "c" 0 43 131073 7 6 0.283000 "C6" "ca" 0 43 131073 8 6 -0.354000 "H1" "ha" 0 43 131073 9 1 0.246800 "C7" "c3" 0 43 131073 10 6 0.080500 "O1" "os" 0 43 131073 11 8 -0.048300 "O2" "os" 0 43 131073 12 8 -0.024600 "C1" "ca" 0 44 131073 1 6 0.068400 "C2" "ca" 0 44 131073 2 6 -0.130100 "H1" "ha" 0 44 131073 3 1 0.123100 "C3" "ca" 0 44 131073 4 6 -0.197300 "H2" "ha" 0 44 131073 5 1 0.163900 "C4" "ca" 0 44 131073 6 6 0.011800 "C5" "ca" 0 44 131073 7 6 -0.104900 "H3" "ha" 0 44 131073 8 1 0.149400 "C6" "ca" 0 44 131073 9 6 -0.262500 "H4" "ha" 0 44 131073 10 1 0.164200 "C7" "c3" 0 44 131073 11 6 0.075000 "C8" "c" 0 44 131073 12 6 0.702400 "O1" "oh" 0 44 131073 13 8 -0.649300 "H7" "ho" 0 44 131073 14 1 0.464000 "O2" "o" 0 44 131073 15 8 -0.578100 "C1" "ca" 0 45 131073 1 6 0.068400 "C2" "ca" 0 45 131073 2 6 -0.130100 "H1" "ha" 0 45 131073 3 1 0.123100 "C3" "ca" 0 45 131073 4 6 -0.197300 "H2" "ha" 0 45 131073 5 1 0.163900 "C4" "ca" 0 45 131073 6 6 0.011800 "C5" "ca" 0 45 131073 7 6 -0.104900 "H3" "ha" 0 45 131073 8 1 0.149400 "C6" "ca" 0 45 131073 9 6 -0.262500 "H4" "ha" 0 45 131073 10 1 0.164200 "C7" "c3" 0 45 131073 11 6 0.075000 "C8" "c" 0 45 131073 12 6 0.702400 "O1" "oh" 0 45 131073 13 8 -0.649300 "H7" "ho" 0 45 131073 14 1 0.464000 "O2" "o" 0 45 131073 15 8 -0.578100 !entry.d.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C1" "ca" 0 -1 0.0 "H1" "ha" 0 -1 0.0 "C2" "c" 0 -1 0.0 "C3" "ca" 0 -1 0.0 "H2" "ha" 0 -1 0.0 "C4" "ca" 0 -1 0.0 "H3" "ha" 0 -1 0.0 "C5" "c" 0 -1 0.0 "C6" "ca" 0 -1 0.0 "H4" "ha" 0 -1 0.0 "S1" "sh" 0 -1 0.0 "O1" "os" 0 -1 0.0 "C1" "c3" 0 -1 0.0 "C2" "ca" 0 -1 0.0 "H2" "ha" 0 -1 0.0 "C3" "ca" 0 -1 0.0 "C4" "ca" 0 -1 0.0 "H3" "ha" 0 -1 0.0 "C5" "c" 0 -1 0.0 "C6" "c" 0 -1 0.0 "C7" "c" 0 -1 0.0 "O1" "os" 0 -1 0.0 "O2" "os" 0 -1 0.0 "O3" "os" 0 -1 0.0 "C1" "c" 0 -1 0.0 "C2" "ca" 0 -1 0.0 "H2" "ha" 0 -1 0.0 "C3" "ca" 0 -1 0.0 "C4" "ca" 0 -1 0.0 "H3" "ha" 0 -1 0.0 "C5" "c" 0 -1 0.0 "C6" "ca" 0 -1 0.0 "H1" "ha" 0 -1 0.0 "C7" "c3" 0 -1 0.0 "O1" "os" 0 -1 0.0 "O2" "os" 0 -1 0.0 "C1" "ca" 0 -1 0.0 "C2" "ca" 0 -1 0.0 "H1" "ha" 0 -1 0.0 "C3" "ca" 0 -1 0.0 "H2" "ha" 0 -1 0.0 "C4" "ca" 0 -1 0.0 "C5" "ca" 0 -1 0.0 "H3" "ha" 0 -1 0.0 "C6" "ca" 0 -1 0.0 "H4" "ha" 0 -1 0.0 "C7" "c3" 0 -1 0.0 "C8" "c" 0 -1 0.0 "O1" "oh" 0 -1 0.0 "H7" "ho" 0 -1 0.0 "O2" "o" 0 -1 0.0 "C1" "ca" 0 -1 0.0 "C2" "ca" 0 -1 0.0 "H1" "ha" 0 -1 0.0 "C3" "ca" 0 -1 0.0 "H2" "ha" 0 -1 0.0 "C4" "ca" 0 -1 0.0 "C5" "ca" 0 -1 0.0 "H3" "ha" 0 -1 0.0 "C6" "ca" 0 -1 0.0 "H4" "ha" 0 -1 0.0 "C7" "c3" 0 -1 0.0 "C8" "c" 0 -1 0.0 "O1" "oh" 0 -1 0.0 "H7" "ho" 0 -1 0.0 "O2" "o" 0 -1 0.0 "C1" "c" 0 -1 0.0 "C2" "ca" 0 -1 0.0 "H2" "ha" 0 -1 0.0 "C3" "ca" 0 -1 0.0 "C4" "ca" 0 -1 0.0 "H3" "ha" 0 -1 0.0 "C5" "c" 0 -1 0.0 "C6" "ca" 0 -1 0.0 "H1" "ha" 0 -1 0.0 "C7" "c3" 0 -1 0.0 "O1" "os" 0 -1 0.0 "O2" "os" 0 -1 0.0 "C1" "ca" 0 -1 0.0 "C2" "ca" 0 -1 0.0 "H1" "ha" 0 -1 0.0 "C3" "ca" 0 -1 0.0 "H2" "ha" 0 -1 0.0 "C4" "ca" 0 -1 0.0 "C5" "ca" 0 -1 0.0 "H3" "ha" 0 -1 0.0 "C6" "ca" 0 -1 0.0 "H4" "ha" 0 -1 0.0 "C7" "c3" 0 -1 0.0 "C8" "c" 0 -1 0.0 "O1" "oh" 0 -1 0.0 "H7" "ho" 0 -1 0.0 "O2" "o" 0 -1 0.0 "C1" "ca" 0 -1 0.0 "C2" "ca" 0 -1 0.0 "H1" "ha" 0 -1 0.0 "C3" "ca" 0 -1 0.0 "H2" "ha" 0 -1 0.0 "C4" "ca" 0 -1 0.0 "C5" "ca" 0 -1 0.0 "H3" "ha" 0 -1 0.0 "C6" "ca" 0 -1 0.0 "H4" "ha" 0 -1 0.0 "C7" "c3" 0 -1 0.0 "C8" "c" 0 -1 0.0 "O1" "oh" 0 -1 0.0 "H7" "ho" 0 -1 0.0 "O2" "o" 0 -1 0.0 "C1" "c" 0 -1 0.0 "C2" "ca" 0 -1 0.0 "H2" "ha" 0 -1 0.0 "C3" "ca" 0 -1 0.0 "C4" "ca" 0 -1 0.0 "H3" "ha" 0 -1 0.0 "C5" "c" 0 -1 0.0 "C6" "ca" 0 -1 0.0 "H1" "ha" 0 -1 0.0 "C7" 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"C2" "ca" 0 -1 0.0 "H1" "ha" 0 -1 0.0 "C3" "ca" 0 -1 0.0 "H2" "ha" 0 -1 0.0 "C4" "ca" 0 -1 0.0 "C5" "ca" 0 -1 0.0 "H3" "ha" 0 -1 0.0 "C6" "ca" 0 -1 0.0 "H4" "ha" 0 -1 0.0 "C7" "c3" 0 -1 0.0 "C8" "c" 0 -1 0.0 "O1" "oh" 0 -1 0.0 "H7" "ho" 0 -1 0.0 "O2" "o" 0 -1 0.0 !entry.d.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.d.unit.childsequence single int 46 !entry.d.unit.connect array int 11 469 !entry.d.unit.connectivity table int atom1x int atom2x int flags 445 444 1 446 445 1 447 445 1 448 447 1 449 447 1 450 449 1 451 450 1 452 444 1 452 450 1 453 452 1 454 444 1 455 449 1 456 455 1 457 456 1 458 455 1 430 429 1 431 430 1 432 430 1 433 432 1 434 432 1 435 434 1 436 435 1 437 429 1 437 435 1 438 437 1 439 429 1 440 434 1 441 440 1 442 441 1 443 440 1 418 417 1 419 418 1 420 418 1 421 420 1 422 421 1 423 421 1 424 417 1 424 423 1 425 424 1 426 420 1 427 423 1 427 439 1 428 417 1 428 454 1 403 402 1 404 403 1 405 403 1 406 405 1 407 405 1 408 407 1 409 408 1 410 402 1 410 408 1 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49 50 1 48 49 1 48 51 1 45 46 1 43 45 1 43 44 1 42 43 1 42 48 1 40 42 1 40 41 1 38 40 1 38 39 1 37 38 1 37 45 1 37 47 1 36 62 1 35 47 1 32 33 1 31 32 1 31 35 1 29 31 1 29 30 1 28 29 1 28 34 1 26 28 1 26 27 1 25 26 1 25 32 1 25 36 1 24 118 1 23 34 1 22 76 1 21 22 1 20 21 1 20 23 1 19 20 1 19 24 1 17 19 1 17 18 1 16 17 1 14 16 1 14 21 1 14 15 1 13 16 1 12 13 1 9 10 1 8 9 1 8 12 1 6 8 1 6 7 1 4 6 1 4 5 1 3 4 1 3 11 1 1 3 1 1 9 1 1 2 1 154 155 1 154 157 1 154 158 1 154 469 1 153 156 1 153 157 1 153 158 1 153 319 1 152 156 1 152 155 1 152 158 1 151 155 1 151 156 1 151 157 1 151 11 1 169 152 1 167 168 1 166 167 1 166 170 1 164 166 1 164 165 1 162 164 1 162 163 1 161 162 1 161 169 1 159 161 1 159 167 1 159 160 1 179 180 1 178 179 1 178 181 1 177 178 1 177 182 1 175 177 1 175 176 1 174 175 1 172 174 1 172 179 1 172 173 1 171 170 1 171 174 1 192 181 1 190 191 1 189 190 1 189 193 1 187 189 1 187 188 1 186 187 1 186 192 1 184 186 1 184 185 1 183 184 1 183 190 1 183 194 1 207 208 1 206 207 1 206 209 1 205 193 1 203 204 1 201 203 1 201 202 1 200 201 1 200 206 1 198 200 1 198 199 1 196 198 1 196 197 1 195 196 1 195 203 1 195 205 1 222 223 1 221 222 1 221 224 1 220 194 1 218 219 1 216 218 1 216 217 1 215 216 1 215 221 1 213 215 1 213 214 1 211 213 1 211 212 1 210 211 1 210 218 1 210 220 1 234 180 1 232 233 1 231 232 1 231 235 1 229 231 1 229 230 1 228 229 1 228 234 1 226 228 1 226 227 1 225 226 1 225 232 1 225 236 1 249 250 1 248 249 1 248 251 1 247 235 1 245 246 1 243 245 1 243 244 1 242 243 1 242 248 1 240 242 1 240 241 1 238 240 1 238 239 1 237 238 1 237 245 1 237 247 1 264 265 1 263 264 1 263 266 1 262 236 1 260 261 1 258 260 1 258 259 1 257 258 1 257 263 1 255 257 1 255 256 1 253 255 1 253 254 1 252 253 1 252 260 1 252 262 1 276 182 1 274 275 1 273 274 1 273 277 1 271 273 1 271 272 1 270 271 1 270 276 1 268 270 1 268 269 1 267 268 1 267 274 1 267 278 1 291 292 1 290 291 1 290 293 1 289 277 1 287 288 1 285 287 1 285 286 1 284 285 1 284 290 1 282 284 1 282 283 1 280 282 1 280 281 1 279 280 1 279 287 1 279 289 1 306 307 1 305 306 1 305 308 1 304 278 1 302 303 1 300 302 1 300 301 1 299 300 1 299 305 1 297 299 1 297 298 1 295 297 1 295 296 1 294 295 1 294 302 1 294 304 1 470 471 1 467 468 1 466 467 1 466 470 1 464 466 1 464 465 1 462 464 1 462 463 1 461 462 1 461 469 1 459 461 1 459 467 1 459 460 1 482 576 1 481 492 1 480 534 1 479 480 1 478 479 1 478 481 1 477 478 1 477 482 1 475 477 1 475 476 1 474 475 1 472 474 1 472 479 1 472 473 1 471 474 1 494 520 1 493 505 1 490 491 1 489 490 1 489 493 1 487 489 1 487 488 1 486 487 1 486 492 1 484 486 1 484 485 1 483 484 1 483 490 1 483 494 1 507 508 1 506 507 1 506 509 1 503 504 1 501 503 1 501 502 1 500 501 1 500 506 1 498 500 1 498 499 1 496 498 1 496 497 1 495 496 1 495 503 1 495 505 1 522 523 1 521 522 1 521 524 1 518 519 1 516 518 1 516 517 1 515 516 1 515 521 1 513 515 1 513 514 1 511 513 1 511 512 1 510 511 1 510 518 1 510 520 1 536 562 1 535 547 1 532 533 1 531 532 1 531 535 1 529 531 1 529 530 1 528 529 1 528 534 1 526 528 1 526 527 1 525 526 1 525 532 1 525 536 1 549 550 1 548 549 1 548 551 1 545 546 1 543 545 1 543 544 1 542 543 1 542 548 1 540 542 1 540 541 1 538 540 1 538 539 1 537 538 1 537 545 1 537 547 1 564 565 1 563 564 1 563 566 1 560 561 1 558 560 1 558 559 1 557 558 1 557 563 1 555 557 1 555 556 1 553 555 1 553 554 1 552 553 1 552 560 1 552 562 1 578 604 1 577 589 1 574 575 1 573 574 1 573 577 1 571 573 1 571 572 1 570 571 1 570 576 1 568 570 1 568 569 1 567 568 1 567 574 1 567 578 1 591 592 1 590 591 1 590 593 1 587 588 1 585 587 1 585 586 1 584 585 1 584 590 1 582 584 1 582 583 1 580 582 1 580 581 1 579 580 1 579 587 1 579 589 1 606 607 1 605 606 1 605 608 1 602 603 1 600 602 1 600 601 1 599 600 1 599 605 1 597 599 1 597 598 1 595 597 1 595 596 1 594 595 1 594 602 1 594 604 1 !entry.d.unit.hierarchy table str abovetype int abovex str belowtype int belowx "U" 0 "R" 34 "R" 34 "A" 444 "R" 34 "A" 445 "R" 34 "A" 446 "R" 34 "A" 447 "R" 34 "A" 448 "R" 34 "A" 449 "R" 34 "A" 450 "R" 34 "A" 451 "R" 34 "A" 452 "R" 34 "A" 453 "R" 34 "A" 454 "R" 34 "A" 455 "R" 34 "A" 456 "R" 34 "A" 457 "R" 34 "A" 458 "U" 0 "R" 33 "R" 33 "A" 429 "R" 33 "A" 430 "R" 33 "A" 431 "R" 33 "A" 432 "R" 33 "A" 433 "R" 33 "A" 434 "R" 33 "A" 435 "R" 33 "A" 436 "R" 33 "A" 437 "R" 33 "A" 438 "R" 33 "A" 439 "R" 33 "A" 440 "R" 33 "A" 441 "R" 33 "A" 442 "R" 33 "A" 443 "U" 0 "R" 32 "R" 32 "A" 417 "R" 32 "A" 418 "R" 32 "A" 419 "R" 32 "A" 420 "R" 32 "A" 421 "R" 32 "A" 422 "R" 32 "A" 423 "R" 32 "A" 424 "R" 32 "A" 425 "R" 32 "A" 426 "R" 32 "A" 427 "R" 32 "A" 428 "U" 0 "R" 31 "R" 31 "A" 402 "R" 31 "A" 403 "R" 31 "A" 404 "R" 31 "A" 405 "R" 31 "A" 406 "R" 31 "A" 407 "R" 31 "A" 408 "R" 31 "A" 409 "R" 31 "A" 410 "R" 31 "A" 411 "R" 31 "A" 412 "R" 31 "A" 413 "R" 31 "A" 414 "R" 31 "A" 415 "R" 31 "A" 416 "U" 0 "R" 30 "R" 30 "A" 387 "R" 30 "A" 388 "R" 30 "A" 389 "R" 30 "A" 390 "R" 30 "A" 391 "R" 30 "A" 392 "R" 30 "A" 393 "R" 30 "A" 394 "R" 30 "A" 395 "R" 30 "A" 396 "R" 30 "A" 397 "R" 30 "A" 398 "R" 30 "A" 399 "R" 30 "A" 400 "R" 30 "A" 401 "U" 0 "R" 29 "R" 29 "A" 375 "R" 29 "A" 376 "R" 29 "A" 377 "R" 29 "A" 378 "R" 29 "A" 379 "R" 29 "A" 380 "R" 29 "A" 381 "R" 29 "A" 382 "R" 29 "A" 383 "R" 29 "A" 384 "R" 29 "A" 385 "R" 29 "A" 386 "U" 0 "R" 28 "R" 28 "A" 360 "R" 28 "A" 361 "R" 28 "A" 362 "R" 28 "A" 363 "R" 28 "A" 364 "R" 28 "A" 365 "R" 28 "A" 366 "R" 28 "A" 367 "R" 28 "A" 368 "R" 28 "A" 369 "R" 28 "A" 370 "R" 28 "A" 371 "R" 28 "A" 372 "R" 28 "A" 373 "R" 28 "A" 374 "U" 0 "R" 27 "R" 27 "A" 345 "R" 27 "A" 346 "R" 27 "A" 347 "R" 27 "A" 348 "R" 27 "A" 349 "R" 27 "A" 350 "R" 27 "A" 351 "R" 27 "A" 352 "R" 27 "A" 353 "R" 27 "A" 354 "R" 27 "A" 355 "R" 27 "A" 356 "R" 27 "A" 357 "R" 27 "A" 358 "R" 27 "A" 359 "U" 0 "R" 26 "R" 26 "A" 333 "R" 26 "A" 334 "R" 26 "A" 335 "R" 26 "A" 336 "R" 26 "A" 337 "R" 26 "A" 338 "R" 26 "A" 339 "R" 26 "A" 340 "R" 26 "A" 341 "R" 26 "A" 342 "R" 26 "A" 343 "R" 26 "A" 344 "U" 0 "R" 25 "R" 25 "A" 321 "R" 25 "A" 322 "R" 25 "A" 323 "R" 25 "A" 324 "R" 25 "A" 325 "R" 25 "A" 326 "R" 25 "A" 327 "R" 25 "A" 328 "R" 25 "A" 329 "R" 25 "A" 330 "R" 25 "A" 331 "R" 25 "A" 332 "U" 0 "R" 24 "R" 24 "A" 309 "R" 24 "A" 310 "R" 24 "A" 311 "R" 24 "A" 312 "R" 24 "A" 313 "R" 24 "A" 314 "R" 24 "A" 315 "R" 24 "A" 316 "R" 24 "A" 317 "R" 24 "A" 318 "R" 24 "A" 319 "R" 24 "A" 320 "U" 0 "R" 11 "R" 11 "A" 150 "R" 11 "A" 149 "R" 11 "A" 148 "R" 11 "A" 147 "R" 11 "A" 146 "R" 11 "A" 145 "R" 11 "A" 144 "R" 11 "A" 143 "R" 11 "A" 142 "R" 11 "A" 141 "R" 11 "A" 140 "R" 11 "A" 139 "R" 11 "A" 138 "R" 11 "A" 137 "R" 11 "A" 136 "U" 0 "R" 10 "R" 10 "A" 135 "R" 10 "A" 134 "R" 10 "A" 133 "R" 10 "A" 132 "R" 10 "A" 131 "R" 10 "A" 130 "R" 10 "A" 129 "R" 10 "A" 128 "R" 10 "A" 127 "R" 10 "A" 126 "R" 10 "A" 125 "R" 10 "A" 124 "R" 10 "A" 123 "R" 10 "A" 122 "R" 10 "A" 121 "U" 0 "R" 9 "R" 9 "A" 120 "R" 9 "A" 119 "R" 9 "A" 118 "R" 9 "A" 117 "R" 9 "A" 116 "R" 9 "A" 115 "R" 9 "A" 114 "R" 9 "A" 113 "R" 9 "A" 112 "R" 9 "A" 111 "R" 9 "A" 110 "R" 9 "A" 109 "U" 0 "R" 8 "R" 8 "A" 108 "R" 8 "A" 107 "R" 8 "A" 106 "R" 8 "A" 105 "R" 8 "A" 104 "R" 8 "A" 103 "R" 8 "A" 102 "R" 8 "A" 101 "R" 8 "A" 100 "R" 8 "A" 99 "R" 8 "A" 98 "R" 8 "A" 97 "R" 8 "A" 96 "R" 8 "A" 95 "R" 8 "A" 94 "U" 0 "R" 7 "R" 7 "A" 93 "R" 7 "A" 92 "R" 7 "A" 91 "R" 7 "A" 90 "R" 7 "A" 89 "R" 7 "A" 88 "R" 7 "A" 87 "R" 7 "A" 86 "R" 7 "A" 85 "R" 7 "A" 84 "R" 7 "A" 83 "R" 7 "A" 82 "R" 7 "A" 81 "R" 7 "A" 80 "R" 7 "A" 79 "U" 0 "R" 6 "R" 6 "A" 78 "R" 6 "A" 77 "R" 6 "A" 76 "R" 6 "A" 75 "R" 6 "A" 74 "R" 6 "A" 73 "R" 6 "A" 72 "R" 6 "A" 71 "R" 6 "A" 70 "R" 6 "A" 69 "R" 6 "A" 68 "R" 6 "A" 67 "U" 0 "R" 5 "R" 5 "A" 66 "R" 5 "A" 65 "R" 5 "A" 64 "R" 5 "A" 63 "R" 5 "A" 62 "R" 5 "A" 61 "R" 5 "A" 60 "R" 5 "A" 59 "R" 5 "A" 58 "R" 5 "A" 57 "R" 5 "A" 56 "R" 5 "A" 55 "R" 5 "A" 54 "R" 5 "A" 53 "R" 5 "A" 52 "U" 0 "R" 4 "R" 4 "A" 51 "R" 4 "A" 50 "R" 4 "A" 49 "R" 4 "A" 48 "R" 4 "A" 47 "R" 4 "A" 46 "R" 4 "A" 45 "R" 4 "A" 44 "R" 4 "A" 43 "R" 4 "A" 42 "R" 4 "A" 41 "R" 4 "A" 40 "R" 4 "A" 39 "R" 4 "A" 38 "R" 4 "A" 37 "U" 0 "R" 3 "R" 3 "A" 36 "R" 3 "A" 35 "R" 3 "A" 34 "R" 3 "A" 33 "R" 3 "A" 32 "R" 3 "A" 31 "R" 3 "A" 30 "R" 3 "A" 29 "R" 3 "A" 28 "R" 3 "A" 27 "R" 3 "A" 26 "R" 3 "A" 25 "U" 0 "R" 2 "R" 2 "A" 24 "R" 2 "A" 23 "R" 2 "A" 22 "R" 2 "A" 21 "R" 2 "A" 20 "R" 2 "A" 19 "R" 2 "A" 18 "R" 2 "A" 17 "R" 2 "A" 16 "R" 2 "A" 15 "R" 2 "A" 14 "R" 2 "A" 13 "U" 0 "R" 1 "R" 1 "A" 12 "R" 1 "A" 11 "R" 1 "A" 10 "R" 1 "A" 9 "R" 1 "A" 8 "R" 1 "A" 7 "R" 1 "A" 6 "R" 1 "A" 5 "R" 1 "A" 4 "R" 1 "A" 3 "R" 1 "A" 2 "R" 1 "A" 1 "U" 0 "R" 12 "R" 12 "A" 158 "R" 12 "A" 157 "R" 12 "A" 156 "R" 12 "A" 155 "R" 12 "A" 154 "R" 12 "A" 153 "R" 12 "A" 152 "R" 12 "A" 151 "U" 0 "R" 13 "R" 13 "A" 170 "R" 13 "A" 169 "R" 13 "A" 168 "R" 13 "A" 167 "R" 13 "A" 166 "R" 13 "A" 165 "R" 13 "A" 164 "R" 13 "A" 163 "R" 13 "A" 162 "R" 13 "A" 161 "R" 13 "A" 160 "R" 13 "A" 159 "U" 0 "R" 14 "R" 14 "A" 182 "R" 14 "A" 181 "R" 14 "A" 180 "R" 14 "A" 179 "R" 14 "A" 178 "R" 14 "A" 177 "R" 14 "A" 176 "R" 14 "A" 175 "R" 14 "A" 174 "R" 14 "A" 173 "R" 14 "A" 172 "R" 14 "A" 171 "U" 0 "R" 15 "R" 15 "A" 194 "R" 15 "A" 193 "R" 15 "A" 192 "R" 15 "A" 191 "R" 15 "A" 190 "R" 15 "A" 189 "R" 15 "A" 188 "R" 15 "A" 187 "R" 15 "A" 186 "R" 15 "A" 185 "R" 15 "A" 184 "R" 15 "A" 183 "U" 0 "R" 16 "R" 16 "A" 209 "R" 16 "A" 208 "R" 16 "A" 207 "R" 16 "A" 206 "R" 16 "A" 205 "R" 16 "A" 204 "R" 16 "A" 203 "R" 16 "A" 202 "R" 16 "A" 201 "R" 16 "A" 200 "R" 16 "A" 199 "R" 16 "A" 198 "R" 16 "A" 197 "R" 16 "A" 196 "R" 16 "A" 195 "U" 0 "R" 17 "R" 17 "A" 224 "R" 17 "A" 223 "R" 17 "A" 222 "R" 17 "A" 221 "R" 17 "A" 220 "R" 17 "A" 219 "R" 17 "A" 218 "R" 17 "A" 217 "R" 17 "A" 216 "R" 17 "A" 215 "R" 17 "A" 214 "R" 17 "A" 213 "R" 17 "A" 212 "R" 17 "A" 211 "R" 17 "A" 210 "U" 0 "R" 18 "R" 18 "A" 236 "R" 18 "A" 235 "R" 18 "A" 234 "R" 18 "A" 233 "R" 18 "A" 232 "R" 18 "A" 231 "R" 18 "A" 230 "R" 18 "A" 229 "R" 18 "A" 228 "R" 18 "A" 227 "R" 18 "A" 226 "R" 18 "A" 225 "U" 0 "R" 19 "R" 19 "A" 251 "R" 19 "A" 250 "R" 19 "A" 249 "R" 19 "A" 248 "R" 19 "A" 247 "R" 19 "A" 246 "R" 19 "A" 245 "R" 19 "A" 244 "R" 19 "A" 243 "R" 19 "A" 242 "R" 19 "A" 241 "R" 19 "A" 240 "R" 19 "A" 239 "R" 19 "A" 238 "R" 19 "A" 237 "U" 0 "R" 20 "R" 20 "A" 266 "R" 20 "A" 265 "R" 20 "A" 264 "R" 20 "A" 263 "R" 20 "A" 262 "R" 20 "A" 261 "R" 20 "A" 260 "R" 20 "A" 259 "R" 20 "A" 258 "R" 20 "A" 257 "R" 20 "A" 256 "R" 20 "A" 255 "R" 20 "A" 254 "R" 20 "A" 253 "R" 20 "A" 252 "U" 0 "R" 21 "R" 21 "A" 278 "R" 21 "A" 277 "R" 21 "A" 276 "R" 21 "A" 275 "R" 21 "A" 274 "R" 21 "A" 273 "R" 21 "A" 272 "R" 21 "A" 271 "R" 21 "A" 270 "R" 21 "A" 269 "R" 21 "A" 268 "R" 21 "A" 267 "U" 0 "R" 22 "R" 22 "A" 293 "R" 22 "A" 292 "R" 22 "A" 291 "R" 22 "A" 290 "R" 22 "A" 289 "R" 22 "A" 288 "R" 22 "A" 287 "R" 22 "A" 286 "R" 22 "A" 285 "R" 22 "A" 284 "R" 22 "A" 283 "R" 22 "A" 282 "R" 22 "A" 281 "R" 22 "A" 280 "R" 22 "A" 279 "U" 0 "R" 23 "R" 23 "A" 308 "R" 23 "A" 307 "R" 23 "A" 306 "R" 23 "A" 305 "R" 23 "A" 304 "R" 23 "A" 303 "R" 23 "A" 302 "R" 23 "A" 301 "R" 23 "A" 300 "R" 23 "A" 299 "R" 23 "A" 298 "R" 23 "A" 297 "R" 23 "A" 296 "R" 23 "A" 295 "R" 23 "A" 294 "U" 0 "R" 35 "R" 35 "A" 470 "R" 35 "A" 469 "R" 35 "A" 468 "R" 35 "A" 467 "R" 35 "A" 466 "R" 35 "A" 465 "R" 35 "A" 464 "R" 35 "A" 463 "R" 35 "A" 462 "R" 35 "A" 461 "R" 35 "A" 460 "R" 35 "A" 459 "U" 0 "R" 36 "R" 36 "A" 482 "R" 36 "A" 481 "R" 36 "A" 480 "R" 36 "A" 479 "R" 36 "A" 478 "R" 36 "A" 477 "R" 36 "A" 476 "R" 36 "A" 475 "R" 36 "A" 474 "R" 36 "A" 473 "R" 36 "A" 472 "R" 36 "A" 471 "U" 0 "R" 37 "R" 37 "A" 494 "R" 37 "A" 493 "R" 37 "A" 492 "R" 37 "A" 491 "R" 37 "A" 490 "R" 37 "A" 489 "R" 37 "A" 488 "R" 37 "A" 487 "R" 37 "A" 486 "R" 37 "A" 485 "R" 37 "A" 484 "R" 37 "A" 483 "U" 0 "R" 38 "R" 38 "A" 509 "R" 38 "A" 508 "R" 38 "A" 507 "R" 38 "A" 506 "R" 38 "A" 505 "R" 38 "A" 504 "R" 38 "A" 503 "R" 38 "A" 502 "R" 38 "A" 501 "R" 38 "A" 500 "R" 38 "A" 499 "R" 38 "A" 498 "R" 38 "A" 497 "R" 38 "A" 496 "R" 38 "A" 495 "U" 0 "R" 39 "R" 39 "A" 524 "R" 39 "A" 523 "R" 39 "A" 522 "R" 39 "A" 521 "R" 39 "A" 520 "R" 39 "A" 519 "R" 39 "A" 518 "R" 39 "A" 517 "R" 39 "A" 516 "R" 39 "A" 515 "R" 39 "A" 514 "R" 39 "A" 513 "R" 39 "A" 512 "R" 39 "A" 511 "R" 39 "A" 510 "U" 0 "R" 40 "R" 40 "A" 536 "R" 40 "A" 535 "R" 40 "A" 534 "R" 40 "A" 533 "R" 40 "A" 532 "R" 40 "A" 531 "R" 40 "A" 530 "R" 40 "A" 529 "R" 40 "A" 528 "R" 40 "A" 527 "R" 40 "A" 526 "R" 40 "A" 525 "U" 0 "R" 41 "R" 41 "A" 551 "R" 41 "A" 550 "R" 41 "A" 549 "R" 41 "A" 548 "R" 41 "A" 547 "R" 41 "A" 546 "R" 41 "A" 545 "R" 41 "A" 544 "R" 41 "A" 543 "R" 41 "A" 542 "R" 41 "A" 541 "R" 41 "A" 540 "R" 41 "A" 539 "R" 41 "A" 538 "R" 41 "A" 537 "U" 0 "R" 42 "R" 42 "A" 566 "R" 42 "A" 565 "R" 42 "A" 564 "R" 42 "A" 563 "R" 42 "A" 562 "R" 42 "A" 561 "R" 42 "A" 560 "R" 42 "A" 559 "R" 42 "A" 558 "R" 42 "A" 557 "R" 42 "A" 556 "R" 42 "A" 555 "R" 42 "A" 554 "R" 42 "A" 553 "R" 42 "A" 552 "U" 0 "R" 43 "R" 43 "A" 578 "R" 43 "A" 577 "R" 43 "A" 576 "R" 43 "A" 575 "R" 43 "A" 574 "R" 43 "A" 573 "R" 43 "A" 572 "R" 43 "A" 571 "R" 43 "A" 570 "R" 43 "A" 569 "R" 43 "A" 568 "R" 43 "A" 567 "U" 0 "R" 44 "R" 44 "A" 593 "R" 44 "A" 592 "R" 44 "A" 591 "R" 44 "A" 590 "R" 44 "A" 589 "R" 44 "A" 588 "R" 44 "A" 587 "R" 44 "A" 586 "R" 44 "A" 585 "R" 44 "A" 584 "R" 44 "A" 583 "R" 44 "A" 582 "R" 44 "A" 581 "R" 44 "A" 580 "R" 44 "A" 579 "U" 0 "R" 45 "R" 45 "A" 608 "R" 45 "A" 607 "R" 45 "A" 606 "R" 45 "A" 605 "R" 45 "A" 604 "R" 45 "A" 603 "R" 45 "A" 602 "R" 45 "A" 601 "R" 45 "A" 600 "R" 45 "A" 599 "R" 45 "A" 598 "R" 45 "A" 597 "R" 45 "A" 596 "R" 45 "A" 595 "R" 45 "A" 594 !entry.d.unit.name single str "MOL" !entry.d.unit.positions table dbl x dbl y dbl z -6.892627 -1.496815 1.651925 -7.623927 -1.480615 0.847225 -6.095127 -0.252815 1.883925 -5.077027 -0.222215 2.978025 -4.515827 0.699785 3.118725 -4.879027 -1.344915 3.783125 -4.150027 -1.365115 4.598525 -5.688727 -2.580515 3.556825 -6.705627 -2.621715 2.453525 -7.288027 -3.526915 2.293125 -6.364027 1.192985 0.877925 -5.467527 -3.628615 4.383125 -6.290127 -4.811715 4.287925 -6.932927 -5.862215 6.474725 -6.067727 -6.515915 6.369725 -7.210627 -4.917715 5.488125 -8.312827 -4.069615 5.587125 -8.504327 -3.338415 4.803325 -9.258927 -4.120415 6.753825 -9.058327 -5.121715 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23.114691 -74.365996 1.548802 24.530791 -73.037796 0.800702 25.761691 -67.459496 -1.330698 27.219391 -67.654896 -1.097398 27.833291 -67.877796 -1.969298 27.773291 -67.589196 0.181902 26.975691 -67.327096 1.298702 27.400091 -67.280096 2.298802 25.505591 -67.118796 1.183802 24.880191 -67.176496 -0.165298 23.812591 -67.018196 -0.291298 29.254791 -67.855396 0.356702 24.800391 -66.908396 2.319002 25.291291 -67.587796 -2.591798 22.749591 -68.235296 2.032502 23.216191 -69.359096 2.714502 24.009691 -69.256896 3.453302 22.682191 -70.619096 2.446402 23.069391 -71.486996 2.979102 21.668091 -70.780196 1.493102 21.196591 -69.643896 0.820102 20.408691 -69.737496 0.073002 21.732291 -68.383396 1.090102 21.357691 -67.511196 0.554602 23.354091 -66.862696 2.288102 21.106291 -72.155196 1.208302 20.170891 -72.249896 0.308602 19.976291 -73.228896 0.315102 21.470691 -73.173296 1.767902 23.414491 -69.103996 -2.956998 23.451691 -69.971496 -1.865098 23.801991 -69.617096 -0.897898 23.048191 -71.298596 -2.003298 23.089291 -71.960996 -1.140298 22.595291 -71.785696 -3.235898 22.554891 -70.906396 -4.327798 22.207391 -71.255996 -5.299998 22.962191 -69.578096 -4.187798 22.929691 -68.907896 -5.046798 23.865791 -67.659796 -2.818398 22.168191 -73.230596 -3.367798 21.752591 -73.632396 -4.534198 21.538691 -74.592696 -4.359198 22.191991 -74.036896 -2.455898 !entry.d.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 11 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 151 152 153 154 0 0 169 169 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 319 319 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 469 469 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 !entry.d.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "T111" 1 13 1 "?" 0 "Q22" 2 13 13 "?" 0 "R13" 3 13 25 "?" 0 "S14" 4 16 37 "?" 0 "S15" 5 16 52 "?" 0 "R16" 6 13 67 "?" 0 "S17" 7 16 79 "?" 0 "S18" 8 16 94 "?" 0 "R19" 9 13 109 "?" 0 "S110" 10 16 121 "?" 0 "S111" 11 16 136 "?" 0 "FS4" 12 9 151 "?" 0 "T111" 13 13 159 "?" 0 "Q22" 14 13 171 "?" 0 "R13" 15 13 183 "?" 0 "S14" 16 16 195 "?" 0 "S15" 17 16 210 "?" 0 "R16" 18 13 225 "?" 0 "S17" 19 16 237 "?" 0 "S18" 20 16 252 "?" 0 "R19" 21 13 267 "?" 0 "S110" 22 16 279 "?" 0 "S111" 23 16 294 "?" 0 "T111" 24 13 309 "?" 0 "Q22" 25 13 321 "?" 0 "R13" 26 13 333 "?" 0 "S14" 27 16 345 "?" 0 "S15" 28 16 360 "?" 0 "R16" 29 13 375 "?" 0 "S17" 30 16 387 "?" 0 "S18" 31 16 402 "?" 0 "R19" 32 13 417 "?" 0 "S110" 33 16 429 "?" 0 "S111" 34 16 444 "?" 0 "T111" 35 13 459 "?" 0 "Q22" 36 13 471 "?" 0 "R13" 37 13 483 "?" 0 "S14" 38 16 495 "?" 0 "S15" 39 16 510 "?" 0 "R16" 40 13 525 "?" 0 "S17" 41 16 537 "?" 0 "S18" 42 16 552 "?" 0 "R19" 43 13 567 "?" 0 "S110" 44 16 579 "?" 0 "S111" 45 16 594 "?" 0 !entry.d.unit.residuesPdbSequenceNumber array int 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 !entry.d.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.d.unit.velocities table dbl x dbl y dbl z 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 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