NAME LG1 IO_STRING LG1 Z TYPE LIGAND AA UNK ATOM C CS3 X -0.196 ATOM C CDp X 0.539 ATOM O Oal X -0.531 ATOM C CD1 X -0.219 ATOM C CD1 X -0.087 ATOM C CS X 0.131 ATOM C CS2 X -0.018 ATOM C CR X -0.079 ATOM C CR X -0.111 ATOM C CR X -0.133 ATOM C CR X -0.129 ATOM C CR X -0.133 ATOM C CR X -0.111 ATOM C CS2 X 0.092 ATOM O Ofu X -0.445 ATOM C CD X 0.543 ATOM C CS2 X 0.042 ATOM N Nad3 X -0.089 ATOM C CR X -0.045 ATOM C CR X -0.299 ATOM C CR X 0.020 ATOM C CS2 X -0.109 ATOM C CSp X 0.019 ATOM N Ngu1 X -0.392 ATOM C CDp X 0.556 ATOM N Ngu2 X -0.523 ATOM N Ngu2 X -0.523 ATOM C CS1 X 0.031 ATOM C CRb X 0.440 ATOM N Nim X -0.645 ATOM C CR X 0.253 ATOM C CS2 X -0.057 ATOM C CR X -0.095 ATOM C CR X -0.119 ATOM C CR X -0.128 ATOM C CR X -0.120 ATOM C CR X -0.128 ATOM C CR X -0.119 ATOM C CR X 0.166 ATOM O Ofu X -0.369 ATOM N Nad3 X 0.008 ATOM N NG2 X -0.593 ATOM H HC X 0.063 ATOM H HC X 0.063 ATOM H HC X 0.063 ATOM H HC X 0.147 ATOM H HC X 0.151 ATOM H HC X 0.060 ATOM H HC X 0.060 ATOM H HR X 0.135 ATOM H HR X 0.129 ATOM H HR X 0.129 ATOM H HR X 0.129 ATOM H HR X 0.135 ATOM H HC X 0.080 ATOM H HC X 0.080 ATOM H HC X 0.106 ATOM H HC X 0.106 ATOM H HR X 0.199 ATOM H HC X 0.073 ATOM H HC X 0.073 ATOM H HC X 0.093 ATOM H HN X 0.328 ATOM H HN X 0.327 ATOM H HN X 0.327 ATOM H HN X 0.327 ATOM H HN X 0.327 ATOM H HC X 0.097 ATOM H HC X 0.068 ATOM H HC X 0.068 ATOM H HR X 0.134 ATOM H HR X 0.138 ATOM H HR X 0.139 ATOM H HR X 0.138 ATOM H HR X 0.134 ATOM H HR X 0.079 BOND_TYPE C C 1 BOND_TYPE C C 1 BOND_TYPE C C 1 BOND_TYPE C C 1 BOND_TYPE C C 1 BOND_TYPE C N 1 BOND_TYPE C C 1 BOND_TYPE C O 1 BOND_TYPE O C 1 BOND_TYPE C C 1 BOND_TYPE C N 1 BOND_TYPE C C 1 BOND_TYPE C C 1 BOND_TYPE C C 1 BOND_TYPE C N 1 BOND_TYPE C C 1 BOND_TYPE N C 1 BOND_TYPE C N 1 BOND_TYPE C C 1 BOND_TYPE C C 1 BOND_TYPE C C 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE N H 1 BOND_TYPE N H 1 BOND_TYPE N H 1 BOND_TYPE N H 1 BOND_TYPE N H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C H 1 BOND_TYPE C O 2 BOND_TYPE C C 2 BOND_TYPE C N 2 BOND_TYPE C N 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE N C 2 BOND_TYPE N N 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE C N 2 BOND_TYPE C N 2 BOND_TYPE C O 2 BOND_TYPE N C 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE C C 2 BOND_TYPE C O 2 NBR_ATOM C NBR_RADIUS 18.31728 ICOOR_INTERNAL C 0.000000 0.000000 0.000000 C C C ICOOR_INTERNAL C 0.000000 180.000000 1.512774 C C C ICOOR_INTERNAL C 0.000000 74.781840 1.543458 C C C ICOOR_INTERNAL C -26.526284 77.327864 1.543388 C C C ICOOR_INTERNAL N -144.825535 69.228709 1.464987 C C C ICOOR_INTERNAL C -155.001561 60.006978 1.367884 N C C ICOOR_INTERNAL N 0.002266 59.992733 1.331871 C N C ICOOR_INTERNAL C 119.033949 69.701613 1.506978 C C C ICOOR_INTERNAL N 179.999827 60.005969 1.332054 C N C ICOOR_INTERNAL C -162.373454 37.469369 1.354616 C C C ICOOR_INTERNAL C 17.221535 70.445825 1.398560 C C C ICOOR_INTERNAL N 179.994790 71.871280 1.310383 C C C ICOOR_INTERNAL N 121.449158 54.375354 1.302496 C C C ICOOR_INTERNAL O -58.853635 54.385602 1.339738 C C C ICOOR_INTERNAL C 179.969195 71.293994 1.344724 N C C ICOOR_INTERNAL C 0.002191 72.330985 1.343290 C N C ICOOR_INTERNAL C 179.962380 53.829431 1.507033 C N C ICOOR_INTERNAL C -95.002218 70.529807 1.506936 C C N ICOOR_INTERNAL N 179.984698 72.230133 1.348912 C C C ICOOR_INTERNAL C -90.276228 59.997044 1.382373 C C C ICOOR_INTERNAL C 89.999583 59.998060 1.382426 C C C ICOOR_INTERNAL C 179.743504 59.999685 1.382319 C C C ICOOR_INTERNAL C 0.553785 59.999295 1.382348 C C C ICOOR_INTERNAL C -0.302171 59.999827 1.382281 C C C ICOOR_INTERNAL C 179.842969 53.970875 1.465001 N C C ICOOR_INTERNAL C 124.720585 70.527047 1.506991 C N C ICOOR_INTERNAL N 0.008898 57.059748 1.286406 C C N ICOOR_INTERNAL C 179.596038 71.451557 1.475965 N C C ICOOR_INTERNAL O 179.996138 57.059453 1.345946 C C N ICOOR_INTERNAL C -133.136414 69.056926 1.506984 C N C ICOOR_INTERNAL C 103.206579 69.056573 1.530043 C N C ICOOR_INTERNAL C -14.946594 78.102645 1.548429 C N C ICOOR_INTERNAL C 61.448874 70.525948 1.507001 C C N ICOOR_INTERNAL C -3.720967 59.999818 1.334585 C C N ICOOR_INTERNAL C 89.999636 59.999933 1.382313 C C C ICOOR_INTERNAL C -90.020171 60.000342 1.382331 C C C ICOOR_INTERNAL C -179.743560 59.997371 1.382315 C C C ICOOR_INTERNAL C -0.469097 60.000726 1.382410 C C C ICOOR_INTERNAL C 0.427748 60.006156 1.382340 C C C ICOOR_INTERNAL C 179.998302 60.002460 1.462692 C C C ICOOR_INTERNAL O 0.000807 60.000005 1.213237 C C C ICOOR_INTERNAL C 179.997750 60.001933 1.507027 C C C ICOOR_INTERNAL H 179.998413 70.528979 1.069982 C C C ICOOR_INTERNAL H 60.001682 70.530043 1.069963 C C C ICOOR_INTERNAL H -59.999495 70.528668 1.069935 C C C ICOOR_INTERNAL H 0.004621 60.000385 1.031978 C C C ICOOR_INTERNAL H 176.280309 59.999604 1.032017 C C N ICOOR_INTERNAL H -58.549601 70.530268 1.069980 C C N ICOOR_INTERNAL H -178.549968 70.531207 1.070006 C C N ICOOR_INTERNAL H 0.255702 60.001606 1.031952 C C C ICOOR_INTERNAL H 179.534503 60.000963 1.032021 C C C ICOOR_INTERNAL H -179.569346 59.998266 1.031995 C C C ICOOR_INTERNAL H 179.808666 60.002985 1.031957 C C C ICOOR_INTERNAL H 0.021189 59.999279 1.032011 C C C ICOOR_INTERNAL H -95.413790 68.501075 1.070023 C C N ICOOR_INTERNAL H 146.464469 65.768372 1.070017 C C N ICOOR_INTERNAL H -115.278545 70.532394 1.069963 C N C ICOOR_INTERNAL H 4.719645 70.528688 1.069967 C N C ICOOR_INTERNAL H 0.014665 53.885598 1.031989 C C C ICOOR_INTERNAL H 145.856827 69.478404 1.069996 C C C ICOOR_INTERNAL H -95.266723 68.065958 1.070012 C C C ICOOR_INTERNAL H 96.362568 66.514426 1.070015 C C C ICOOR_INTERNAL H 24.998859 59.993859 0.984467 N C C ICOOR_INTERNAL H 0.002066 59.997997 0.984528 N C N ICOOR_INTERNAL H 179.996876 59.997521 0.984526 N C N ICOOR_INTERNAL H 0.001874 60.000339 0.984454 N C N ICOOR_INTERNAL H 179.996876 60.001181 0.984526 N C N ICOOR_INTERNAL H -121.865893 67.977588 1.069990 C C C ICOOR_INTERNAL H 144.998653 70.530360 1.070036 C C N ICOOR_INTERNAL H 25.000727 70.526332 1.070020 C C N ICOOR_INTERNAL H -0.256179 60.002768 1.032003 C C C ICOOR_INTERNAL H -179.446038 60.003100 1.032013 C C C ICOOR_INTERNAL H 179.697648 59.999747 1.032023 C C C ICOOR_INTERNAL H 179.973041 60.002553 1.031985 C C C ICOOR_INTERNAL H 0.018960 59.998902 1.031964 C C C ICOOR_INTERNAL H 179.777391 53.554936 1.032035 C C N CHI 1 C N C C CHI 2 C C C O CHI 3 C C C C CHI 4 C C C C CHI 5 C C C C CHI 6 N C C O CHI 7 C C C N CHI 8 C C N C CHI 9 C N C N CHI 10 N C N H CHI 11 C C C C CHI 12 N C C C