@MOLECULE 3'-deoxy-3'-[(methionyl-o-methyl-d-tyrosyl)amino]-n,n-dimethyladenosine 80 83 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 3.9818 4.7953 0.1621 S.3 1 UNL1 -0.0313 2 O -2.5073 -1.1137 -1.6050 O.3 1 UNL1 -0.4237 3 O -0.7977 0.2350 0.9880 O.3 1 UNL1 -0.5570 4 O -3.1448 -4.4877 -1.3615 O.3 1 UNL1 -0.5395 5 O 1.0124 -2.1789 1.8179 O.2 1 UNL1 -0.5472 6 O 2.4052 0.3463 -2.9046 O.2 1 UNL1 -0.5152 7 O 9.0787 -0.8573 0.6025 O.3 1 UNL1 -0.3179 8 N -3.7915 0.4471 -0.4324 N.ar 1 UNL1 -0.3732 9 N 0.2091 -1.8579 -0.2713 N.am 1 UNL1 -0.5647 10 N -5.5203 1.9024 -0.7361 N.ar 1 UNL1 -0.3394 11 N 2.6798 -1.0300 -1.1778 N.am 1 UNL1 -0.6233 12 N -4.9620 -1.2214 0.9879 N.ar 1 UNL1 -0.5509 13 N -8.3449 1.2391 0.5088 N.pl3 1 UNL1 -0.3210 14 N -7.2844 -0.6571 1.3731 N.ar 1 UNL1 -0.5894 15 N 0.6142 1.8897 -1.2628 N.3 1 UNL1 -0.6335 16 C -1.1806 -2.0372 0.1441 C.3 1 UNL1 -0.0004 17 C -1.7972 -0.6850 0.6363 C.3 1 UNL1 0.0555 18 C -2.0653 -2.3681 -1.0818 C.3 1 UNL1 0.0451 19 C -2.4591 -0.0887 -0.6349 C.3 1 UNL1 0.2743 20 C -3.2801 -3.2349 -0.7272 C.3 1 UNL1 -0.0321 21 C 1.2178 -1.8564 0.6640 C.2 1 UNL1 0.5363 22 C -4.8761 -0.0837 0.2532 C.ar 1 UNL1 0.3112 23 C 2.6276 -1.3773 0.2370 C.3 1 UNL1 0.0142 24 C -4.2515 1.6586 -1.0278 C.ar 1 UNL1 0.1323 25 C -5.9595 0.8404 0.0536 C.ar 1 UNL1 -0.2082 26 C 3.6764 -2.4478 0.5770 C.3 1 UNL1 -0.2920 27 C -7.2140 0.5118 0.6415 C.ar 1 UNL1 0.4399 28 C 5.0904 -1.9479 0.5269 C.ar 1 UNL1 -0.0564 29 C 2.3595 0.2116 -1.6983 C.2 1 UNL1 0.5062 30 C -6.1929 -1.4333 1.5108 C.ar 1 UNL1 0.3070 31 C 1.8913 1.3522 -0.7816 C.3 1 UNL1 -0.0115 32 C 6.1279 -2.8920 0.5157 C.ar 1 UNL1 -0.1128 33 C 5.4077 -0.5908 0.5297 C.ar 1 UNL1 -0.0994 34 C 2.9841 2.4418 -0.8289 C.3 1 UNL1 -0.2649 35 C -8.3203 2.5560 -0.1262 C.3 1 UNL1 -0.2323 36 C -9.5944 0.7692 1.1101 C.3 1 UNL1 -0.2212 37 C 7.4528 -2.4902 0.5281 C.ar 1 UNL1 -0.2364 38 C 6.7343 -0.1605 0.5266 C.ar 1 UNL1 -0.2817 39 C 2.6473 3.5314 0.1806 C.3 1 UNL1 -0.3045 40 C 7.7462 -1.1163 0.5415 C.ar 1 UNL1 0.2372 41 C 3.2030 6.1809 1.0482 C.3 1 UNL1 -0.5020 42 C 9.4920 0.4888 0.4075 C.3 1 UNL1 -0.2025 43 H -0.3224 -0.0771 1.7970 H 1 UNL1 0.3479 44 H -3.3948 -4.4314 -2.3045 H 1 UNL1 0.3134 45 H 0.3586 -1.4530 -1.1855 H 1 UNL1 0.3211 46 H 3.0557 -1.7329 -1.8093 H 1 UNL1 0.3320 47 H -0.1527 1.2961 -0.9877 H 1 UNL1 0.2624 48 H 0.6182 2.0523 -2.2585 H 1 UNL1 0.2740 49 H -1.2322 -2.8219 0.9402 H 1 UNL1 0.1914 50 H -2.5023 -0.8264 1.4820 H 1 UNL1 0.1751 51 H -1.4910 -2.8170 -1.9293 H 1 UNL1 0.1704 52 H -1.8293 0.7186 -1.1029 H 1 UNL1 0.1602 53 H -3.3358 -3.4978 0.3478 H 1 UNL1 0.1640 54 H -4.2248 -2.7378 -1.0240 H 1 UNL1 0.1530 55 H 2.8295 -0.4668 0.8772 H 1 UNL1 0.1724 56 H -3.6017 2.2813 -1.6251 H 1 UNL1 0.2004 57 H 3.5522 -3.3309 -0.0874 H 1 UNL1 0.1626 58 H 3.4718 -2.8372 1.6069 H 1 UNL1 0.1899 59 H -6.3179 -2.3425 2.1276 H 1 UNL1 0.1997 60 H 1.7439 1.0115 0.2765 H 1 UNL1 0.1561 61 H 5.8941 -3.9580 0.5029 H 1 UNL1 0.1542 62 H 4.6257 0.1658 0.5354 H 1 UNL1 0.1478 63 H 3.0473 2.8530 -1.8613 H 1 UNL1 0.1736 64 H 3.9737 1.9857 -0.6266 H 1 UNL1 0.1503 65 H -7.8324 2.5040 -1.1214 H 1 UNL1 0.1836 66 H -7.7421 3.2763 0.4868 H 1 UNL1 0.1615 67 H -9.3375 2.9508 -0.2707 H 1 UNL1 0.1491 68 H -9.9309 -0.1568 0.6022 H 1 UNL1 0.1620 69 H -10.3862 1.5276 1.0320 H 1 UNL1 0.1442 70 H -9.4448 0.5190 2.1806 H 1 UNL1 0.1686 71 H 8.2673 -3.2075 0.5269 H 1 UNL1 0.1717 72 H 6.9594 0.9005 0.5194 H 1 UNL1 0.1665 73 H 1.6709 3.9910 -0.0709 H 1 UNL1 0.1761 74 H 2.5436 3.1206 1.2012 H 1 UNL1 0.1504 75 H 3.9211 7.0088 1.0906 H 1 UNL1 0.1712 76 H 2.9349 5.9148 2.0754 H 1 UNL1 0.1605 77 H 2.3048 6.5398 0.5351 H 1 UNL1 0.1639 78 H 10.5719 0.4310 0.6040 H 1 UNL1 0.1535 79 H 9.0193 1.1694 1.1224 H 1 UNL1 0.1342 80 H 9.3007 0.7974 -0.6257 H 1 UNL1 0.1377 @BOND 1 6 29 2 2 44 4 1 3 48 15 1 4 51 18 1 5 63 34 1 6 46 11 1 7 29 11 am 8 29 31 1 9 56 24 1 10 2 18 1 11 2 19 1 12 4 20 1 13 15 47 1 14 15 31 1 15 45 9 1 16 11 23 1 17 65 35 1 18 52 19 1 19 18 20 1 20 18 16 1 21 24 10 ar 22 24 8 ar 23 54 20 1 24 34 31 1 25 34 64 1 26 34 39 1 27 31 60 1 28 10 25 ar 29 20 53 1 30 19 8 1 31 19 17 1 32 80 42 1 33 8 22 ar 34 9 16 1 35 9 21 am 36 67 35 1 37 35 66 1 38 35 13 1 39 57 26 1 40 73 39 1 41 25 22 ar 42 25 27 ar 43 16 17 1 44 16 49 1 45 1 39 1 46 1 41 1 47 39 74 1 48 23 26 1 49 23 21 1 50 23 55 1 51 22 12 ar 52 42 7 1 53 42 78 1 54 42 79 1 55 61 32 1 56 13 27 1 57 13 36 1 58 32 28 ar 59 32 37 ar 60 72 38 1 61 38 33 ar 62 38 40 ar 63 28 33 ar 64 28 26 1 65 71 37 1 66 37 40 ar 67 33 62 1 68 77 41 1 69 40 7 1 70 26 58 1 71 68 36 1 72 17 3 1 73 17 50 1 74 27 14 ar 75 21 5 2 76 12 30 ar 77 3 43 1 78 69 36 1 79 41 75 1 80 41 76 1 81 36 70 1 82 14 30 ar 83 30 59 1