@MOLECULE 5-o-phosphono-beta-d-ribofuranosyl-(1->2)-5-o-phosphono-beta-d-ribofuranosyl-(1->2)adenosine 5'-(dihydrogen phosphate) 81 85 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.3051 -3.0175 1.5878 P.3 1 UNL1 0.3659 2 P -6.1190 0.6840 -0.5110 P.3 1 UNL1 0.3561 3 P 7.7945 -0.5446 0.7302 P.3 1 UNL1 0.3451 4 O -0.3945 -0.2391 -0.3762 O.3 1 UNL1 -0.4190 5 O -1.2129 -1.5782 1.3078 O.3 1 UNL1 -0.4796 6 O 1.6750 -1.5385 -0.4415 O.3 1 UNL1 -0.4626 7 O -1.8576 2.2274 -2.2778 O.3 1 UNL1 -0.4213 8 O 3.6674 -0.4346 -0.2415 O.3 1 UNL1 -0.4052 9 O 1.0757 -3.9443 0.0504 O.3 1 UNL1 -0.5407 10 O -1.7428 -0.8731 -2.5261 O.3 1 UNL1 -0.5379 11 O 1.4687 -1.1105 -2.9624 O.3 1 UNL1 -0.5320 12 O 3.5016 -2.7193 -2.5751 O.3 1 UNL1 -0.5462 13 O -3.0939 -3.9435 1.1220 O.3 1 UNL1 -0.2138 14 O -5.1024 0.7934 -1.7410 O.3 1 UNL1 -0.2550 15 O 6.6125 -1.2085 -0.0936 O.3 1 UNL1 -0.2026 16 O -3.9000 -1.4741 1.4316 O.3 1 UNL1 -0.5038 17 O -4.2854 -3.1889 3.1748 O.3 1 UNL1 -0.3793 18 O -6.8419 2.1076 -0.4509 O.3 1 UNL1 -0.3460 19 O -5.2264 0.7848 0.8042 O.3 1 UNL1 -0.4541 20 O -5.5059 -3.3809 0.8738 O.2 1 UNL1 -0.1477 21 O -6.9843 -0.4485 -0.7554 O.2 1 UNL1 -0.1775 22 O 7.1906 0.8621 1.1789 O.3 1 UNL1 -0.3194 23 O 8.8826 -0.0393 -0.3351 O.3 1 UNL1 -0.4397 24 O 8.2509 -1.4718 1.7488 O.2 1 UNL1 -0.2488 25 N -0.8626 3.0055 -0.3400 N.ar 1 UNL1 -0.3739 26 N -1.3411 4.9366 0.7659 N.ar 1 UNL1 -0.3487 27 N 1.5065 2.7507 0.3636 N.ar 1 UNL1 -0.5353 28 N 2.2429 4.5262 1.8332 N.ar 1 UNL1 -0.5758 29 N 0.8766 6.2961 2.5168 N.pl3 1 UNL1 -0.5482 30 C 1.1174 -1.5743 0.8417 C.3 1 UNL1 0.0222 31 C -1.5103 0.5922 -0.5570 C.3 1 UNL1 -0.0112 32 C -0.1756 -0.7058 0.9300 C.3 1 UNL1 0.2776 33 C 0.5992 -3.0385 1.0042 C.3 1 UNL1 0.0825 34 C -2.4242 -0.0198 -1.6502 C.3 1 UNL1 0.1065 35 C -0.9591 1.8752 -1.2549 C.3 1 UNL1 0.2567 36 C -0.9322 -2.8982 0.8100 C.3 1 UNL1 0.0533 37 C -2.8855 1.2315 -2.4256 C.3 1 UNL1 0.0315 38 C 2.3838 -0.3630 -0.7888 C.3 1 UNL1 0.2648 39 C 2.5495 -0.4968 -2.3273 C.3 1 UNL1 0.0453 40 C 3.8411 -1.3572 -2.4476 C.3 1 UNL1 0.0485 41 C 4.5230 -1.2355 -1.0659 C.3 1 UNL1 0.0581 42 C -1.7638 -3.8572 1.6581 C.3 1 UNL1 -0.0706 43 C -4.1815 1.8803 -1.8974 C.3 1 UNL1 -0.0652 44 C 5.8633 -0.4876 -1.1028 C.3 1 UNL1 -0.0665 45 C 0.2984 3.3710 0.3262 C.ar 1 UNL1 0.2812 46 C -1.8262 4.0061 -0.0527 C.ar 1 UNL1 0.1523 47 C -0.0194 4.5806 1.0295 C.ar 1 UNL1 -0.2012 48 C 1.0261 5.1525 1.8024 C.ar 1 UNL1 0.4643 49 C 2.4223 3.3822 1.1297 C.ar 1 UNL1 0.3038 50 H 1.8723 -1.2832 1.5971 H 1 UNL1 0.1574 51 H -2.0600 0.8015 0.3802 H 1 UNL1 0.1622 52 H -0.1866 0.1091 1.6750 H 1 UNL1 0.1421 53 H 0.8789 -3.4657 1.9890 H 1 UNL1 0.1438 54 H -3.2472 -0.6598 -1.2634 H 1 UNL1 0.1974 55 H 0.0414 1.7047 -1.7377 H 1 UNL1 0.1789 56 H -1.2077 -2.9357 -0.2705 H 1 UNL1 0.1791 57 H -2.9212 1.0408 -3.5196 H 1 UNL1 0.1724 58 H 1.9218 0.5591 -0.3870 H 1 UNL1 0.1832 59 H 2.6314 0.4903 -2.8267 H 1 UNL1 0.1639 60 H 4.4800 -1.0654 -3.2998 H 1 UNL1 0.1312 61 H 4.6123 -2.2313 -0.5671 H 1 UNL1 0.1796 62 H -1.6908 -3.6309 2.7388 H 1 UNL1 0.1485 63 H -1.4234 -4.9093 1.4931 H 1 UNL1 0.1625 64 H -4.6196 2.5520 -2.6668 H 1 UNL1 0.1406 65 H -3.9654 2.4824 -0.9946 H 1 UNL1 0.1285 66 H 1.7758 -3.5373 -0.5163 H 1 UNL1 0.3519 67 H -0.7694 -0.7389 -2.4976 H 1 UNL1 0.3376 68 H 5.7074 0.5937 -0.9052 H 1 UNL1 0.1630 69 H 6.3871 -0.6161 -2.0706 H 1 UNL1 0.1321 70 H -2.8209 3.9800 -0.4773 H 1 UNL1 0.2091 71 H 1.1544 -1.8888 -2.4341 H 1 UNL1 0.3447 72 H 3.0258 -2.8730 -3.4229 H 1 UNL1 0.3312 73 H 3.4254 2.9191 1.1947 H 1 UNL1 0.2084 74 H -0.0022 6.7797 2.5099 H 1 UNL1 0.3300 75 H 1.6384 6.6713 3.0487 H 1 UNL1 0.3247 76 H -2.9088 -1.3544 1.2535 H 1 UNL1 0.3596 77 H -4.6752 -2.3450 3.6015 H 1 UNL1 0.3237 78 H -6.6389 2.5497 0.4500 H 1 UNL1 0.3150 79 H -4.8067 -0.1208 1.0311 H 1 UNL1 0.3648 80 H 7.9740 1.4984 1.3737 H 1 UNL1 0.3161 81 H 9.5552 -0.7800 -0.5170 H 1 UNL1 0.3299 @BOND 1 57 37 1 2 72 12 1 3 60 40 1 4 11 71 1 5 11 39 1 6 59 39 1 7 64 43 1 8 12 40 1 9 10 67 1 10 10 34 1 11 40 39 1 12 40 41 1 13 37 7 1 14 37 43 1 15 37 34 1 16 39 38 1 17 7 35 1 18 69 44 1 19 43 14 1 20 43 65 1 21 14 2 1 22 55 35 1 23 34 54 1 24 34 31 1 25 35 31 1 26 35 25 1 27 44 41 1 28 44 68 1 29 44 15 1 30 41 61 1 31 41 8 1 32 38 6 1 33 38 58 1 34 38 8 1 35 21 2 2 36 31 4 1 37 31 51 1 38 81 23 1 39 66 9 1 40 2 18 1 41 2 19 1 42 70 46 1 43 18 78 1 44 6 30 1 45 4 32 1 46 25 46 ar 47 25 45 ar 48 23 3 1 49 56 36 1 50 15 3 1 51 46 26 ar 52 9 33 1 53 45 27 ar 54 45 47 ar 55 27 49 ar 56 3 22 1 57 3 24 2 58 26 47 ar 59 19 79 1 60 36 33 1 61 36 5 1 62 36 42 1 63 30 32 1 64 30 33 1 65 30 50 1 66 20 1 2 67 32 5 1 68 32 52 1 69 33 53 1 70 47 48 ar 71 13 1 1 72 13 42 1 73 49 73 1 74 49 28 ar 75 22 80 1 76 76 16 1 77 16 1 1 78 63 42 1 79 1 17 1 80 42 62 1 81 48 28 ar 82 48 29 1 83 74 29 1 84 29 75 1 85 17 77 1