@MOLECULE futalosine 48 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.4249 1.6844 -1.1963 O.3 1 UNL1 -0.3988 2 O -2.4732 4.3451 0.0342 O.3 1 UNL1 -0.5382 3 O -4.4414 2.6352 0.1545 O.3 1 UNL1 -0.5442 4 O 2.2515 0.6202 1.7231 O.2 1 UNL1 -0.4298 5 O -4.0612 -4.4586 0.4973 O.2 1 UNL1 -0.3648 6 O 8.0413 -1.3439 0.0341 O.3 1 UNL1 -0.5599 7 O 7.2553 -0.3318 1.8555 O.2 1 UNL1 -0.4878 8 N -2.6963 -0.1513 -0.5770 N.ar 1 UNL1 -0.3927 9 N -2.0029 -2.3023 -0.4062 N.ar 1 UNL1 -0.2798 10 N -5.0880 -0.5059 0.0778 N.ar 1 UNL1 -0.5174 11 N -5.6019 -2.7813 0.6038 N.ar 1 UNL1 -0.5366 12 C -0.8910 2.6128 -0.2445 C.3 1 UNL1 0.0841 13 C -2.0651 3.1261 0.6141 C.3 1 UNL1 0.0450 14 C -3.1868 2.0801 0.3996 C.3 1 UNL1 0.0344 15 C -2.7230 1.2805 -0.8579 C.3 1 UNL1 0.2378 16 C 0.1691 1.9026 0.5879 C.3 1 UNL1 -0.2981 17 C 1.3173 1.4251 -0.3023 C.3 1 UNL1 -0.3651 18 C -3.7912 -0.9061 -0.1785 C.ar 1 UNL1 0.2062 19 C -1.6173 -1.0641 -0.7105 C.ar 1 UNL1 0.1081 20 C -3.3455 -2.2453 -0.0698 C.ar 1 UNL1 -0.1589 21 C 2.3525 0.7013 0.5232 C.2 1 UNL1 0.4694 22 C 3.5258 0.1272 -0.1815 C.ar 1 UNL1 -0.1941 23 C -4.2802 -3.2892 0.3501 C.ar 1 UNL1 0.5967 24 C -5.9532 -1.5466 0.4900 C.ar 1 UNL1 0.3160 25 C 4.7035 -0.0336 0.5502 C.ar 1 UNL1 -0.0174 26 C 3.4774 -0.2648 -1.5204 C.ar 1 UNL1 -0.0562 27 C 5.8347 -0.5655 -0.0721 C.ar 1 UNL1 -0.1708 28 C 4.6069 -0.8035 -2.1329 C.ar 1 UNL1 -0.2014 29 C 5.7909 -0.9520 -1.4132 C.ar 1 UNL1 -0.0313 30 C 7.0599 -0.7062 0.7280 C.2 1 UNL1 0.6401 31 H -0.4724 3.4197 -0.8909 H 1 UNL1 0.1727 32 H -1.8066 3.2711 1.6798 H 1 UNL1 0.1474 33 H -3.3470 1.4404 1.2956 H 1 UNL1 0.1725 34 H -3.3501 1.4801 -1.7658 H 1 UNL1 0.1688 35 H 0.5595 2.5735 1.3815 H 1 UNL1 0.1683 36 H -0.2680 1.0359 1.1301 H 1 UNL1 0.1733 37 H 0.9263 0.7688 -1.1080 H 1 UNL1 0.1746 38 H 1.7932 2.2803 -0.8259 H 1 UNL1 0.1698 39 H -2.8694 4.9383 0.7091 H 1 UNL1 0.3293 40 H -4.3633 3.4426 -0.4168 H 1 UNL1 0.3504 41 H -0.6371 -0.7458 -1.0202 H 1 UNL1 0.1992 42 H -5.3434 0.4724 0.0655 H 1 UNL1 0.3408 43 H -6.9869 -1.2259 0.7036 H 1 UNL1 0.1903 44 H 4.7386 0.2514 1.6112 H 1 UNL1 0.1931 45 H 2.5553 -0.1633 -2.0952 H 1 UNL1 0.1559 46 H 4.5647 -1.1129 -3.1764 H 1 UNL1 0.1632 47 H 6.6794 -1.3737 -1.8925 H 1 UNL1 0.1756 48 H 8.8750 -1.4579 0.5567 H 1 UNL1 0.3602 @BOND 1 46 28 1 2 28 26 ar 3 28 29 ar 4 45 26 1 5 47 29 1 6 34 15 1 7 26 22 ar 8 29 27 ar 9 1 15 1 10 1 12 1 11 37 17 1 12 41 19 1 13 31 12 1 14 15 8 1 15 15 14 1 16 38 17 1 17 19 8 ar 18 19 9 ar 19 8 18 ar 20 40 3 1 21 9 20 ar 22 17 21 1 23 17 16 1 24 12 16 1 25 12 13 1 26 22 21 1 27 22 25 ar 28 18 20 ar 29 18 10 ar 30 27 25 ar 31 27 30 1 32 20 23 ar 33 6 48 1 34 6 30 1 35 2 13 1 36 2 39 1 37 42 10 1 38 10 24 ar 39 3 14 1 40 23 5 2 41 23 11 ar 42 14 13 1 43 14 33 1 44 24 11 ar 45 24 43 1 46 21 4 2 47 25 44 1 48 16 36 1 49 16 35 1 50 13 32 1 51 30 7 2