@MOLECULE evodenoson 65 69 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.9816 -1.2741 -1.3571 O.3 1 UNL1 -0.2657 2 O 4.6881 -3.6686 0.4175 O.3 1 UNL1 -0.3127 3 O 5.3956 -1.5897 1.8089 O.3 1 UNL1 -0.4248 4 O 0.9272 -2.9339 -0.5851 O.2 1 UNL1 -0.3253 5 O -7.4423 -0.9923 -0.3385 O.3 1 UNL1 -0.1077 6 O -7.0110 1.2262 -0.5330 O.2 1 UNL1 -0.4155 7 N 1.3365 -0.9351 -1.5988 N.am 1 UNL1 -0.6376 8 N 4.2037 0.7481 -0.2913 N.ar 1 UNL1 -0.2390 9 N -5.2904 -0.3213 -0.5769 N.am 1 UNL1 -0.4556 10 N 4.1310 2.9178 -0.9971 N.ar 1 UNL1 -0.4086 11 N 2.0899 0.7222 1.0090 N.ar 1 UNL1 -0.4967 12 N 0.9435 2.8638 0.9978 N.ar 1 UNL1 -0.6038 13 N 1.7798 4.7639 -0.0619 N.pl3 1 UNL1 -0.8899 14 C -0.0540 -0.5587 -1.6269 C.3 1 UNL1 0.0388 15 C -0.4052 0.9185 -1.6118 C.3 1 UNL1 -0.4732 16 C -0.5885 0.1171 -2.8788 C.3 1 UNL1 -0.6081 17 C 3.2206 -2.3947 -0.9386 C.3 1 UNL1 0.0987 18 C 3.6351 -2.7310 0.5051 C.3 1 UNL1 -0.7231 19 C 4.2528 -1.4093 1.0379 C.3 1 UNL1 0.0452 20 C 4.6297 -0.6392 -0.2639 C.3 1 UNL1 0.1371 21 C 1.7193 -2.1095 -0.9998 C.2 1 UNL1 0.2945 22 C -3.0405 -0.4700 1.2625 C.3 1 UNL1 0.1907 23 C -3.5951 0.8910 0.8135 C.3 1 UNL1 -0.2435 24 C -4.1921 -1.4755 1.3604 C.3 1 UNL1 -0.4729 25 C -4.2661 0.7401 -0.5601 C.3 1 UNL1 -0.2977 26 C -4.8582 -1.6140 -0.0254 C.3 1 UNL1 -0.1415 27 C -2.2837 -0.3283 2.6076 C.3 1 UNL1 -0.8434 28 C 3.0483 1.3000 0.2485 C.ar 1 UNL1 0.1734 29 C 4.8133 1.7809 -1.0622 C.ar 1 UNL1 0.0055 30 C 3.0210 2.6660 -0.1929 C.ar 1 UNL1 -0.0920 31 C -6.6082 0.0859 -0.4502 C.2 1 UNL1 0.4541 32 C -1.0591 0.3630 2.3301 C.1 1 UNL1 0.3398 33 C 1.9224 3.4505 0.2488 C.ar 1 UNL1 0.4823 34 C 1.0513 1.5427 1.3248 C.ar 1 UNL1 0.7201 35 C -0.0640 0.9369 1.9447 C.1 1 UNL1 -0.4467 36 C -8.8292 -0.6650 -0.3345 C.3 1 UNL1 -0.6707 37 H -0.6959 -1.2782 -1.0891 H 1 UNL1 0.2575 38 H -1.2669 1.2599 -1.0445 H 1 UNL1 0.2069 39 H 0.3766 1.6706 -1.5614 H 1 UNL1 0.2248 40 H 0.0704 0.2913 -3.7241 H 1 UNL1 0.2545 41 H -1.5864 -0.1262 -3.2310 H 1 UNL1 0.2420 42 H 3.4910 -3.2020 -1.6628 H 1 UNL1 0.2101 43 H 2.8045 -3.1114 1.1297 H 1 UNL1 0.3695 44 H 3.5520 -0.8535 1.7087 H 1 UNL1 0.2785 45 H 2.0256 -0.2202 -1.7834 H 1 UNL1 0.4747 46 H 5.7259 -0.6970 -0.4908 H 1 UNL1 0.1913 47 H -2.3135 -0.8406 0.4950 H 1 UNL1 0.1302 48 H -2.7879 1.6487 0.7595 H 1 UNL1 0.1162 49 H -4.3186 1.2825 1.5529 H 1 UNL1 0.1747 50 H -4.9339 -1.1526 2.1116 H 1 UNL1 0.2229 51 H -3.8271 -2.4631 1.6950 H 1 UNL1 0.1886 52 H -4.7224 1.7074 -0.8788 H 1 UNL1 0.1891 53 H -3.5131 0.4697 -1.3380 H 1 UNL1 0.2339 54 H -4.1344 -2.0520 -0.7559 H 1 UNL1 0.1809 55 H -5.7160 -2.3214 0.0256 H 1 UNL1 0.1964 56 H 4.4692 -4.4922 0.9067 H 1 UNL1 0.3471 57 H -2.9091 0.2069 3.3560 H 1 UNL1 0.3152 58 H -2.0896 -1.3347 3.0459 H 1 UNL1 0.3320 59 H 5.9053 -2.3754 1.4997 H 1 UNL1 0.3634 60 H 5.7300 1.6158 -1.6089 H 1 UNL1 0.2648 61 H 0.9924 5.2849 0.2737 H 1 UNL1 0.4576 62 H 2.4786 5.2278 -0.6101 H 1 UNL1 0.4493 63 H -9.0609 -0.0772 0.5609 H 1 UNL1 0.2400 64 H -9.1112 -0.1122 -1.2381 H 1 UNL1 0.2181 65 H -9.3078 -1.6505 -0.3055 H 1 UNL1 0.2852 @BOND 1 40 16 1 2 41 16 1 3 16 14 1 4 16 15 1 5 45 7 1 6 42 17 1 7 14 15 1 8 14 7 1 9 14 37 1 10 15 39 1 11 15 38 1 12 60 29 1 13 7 21 am 14 1 17 1 15 1 20 1 16 53 25 1 17 64 36 1 18 29 10 ar 19 29 8 ar 20 21 17 1 21 21 4 2 22 10 30 ar 23 17 18 1 24 52 25 1 25 54 26 1 26 62 13 1 27 9 25 1 28 9 31 am 29 9 26 1 30 25 23 1 31 6 31 2 32 46 20 1 33 31 5 1 34 5 36 1 35 36 65 1 36 36 63 1 37 8 20 1 38 8 28 ar 39 20 19 1 40 30 28 ar 41 30 33 ar 42 13 33 1 43 13 61 1 44 26 55 1 45 26 24 1 46 28 11 ar 47 33 12 ar 48 2 18 1 49 2 56 1 50 47 22 1 51 18 19 1 52 18 43 1 53 48 23 1 54 23 22 1 55 23 49 1 56 12 34 ar 57 11 34 ar 58 19 44 1 59 19 3 1 60 22 24 1 61 22 27 1 62 34 35 1 63 24 51 1 64 24 50 1 65 59 3 1 66 35 32 3 67 32 27 1 68 27 58 1 69 27 57 1