@MOLECULE 2'-deoxy-5-[(1e)-3-{[3-(methylsulfanyl)propanoyl]amino}-1-propen-1-yl]uridine 5'-(tetrahydrogen triphosphate) 64 65 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.6578 -1.6260 0.3759 S.3 1 UNL111111111 -0.0294 2 P -1.7641 2.3757 1.6145 P.3 1 UNL111111111 0.4059 3 P -2.3635 1.8456 -1.3330 P.3 1 UNL111111111 0.4028 4 P -0.4483 -0.4790 -1.7828 P.3 1 UNL111111111 0.3816 5 O 3.1697 1.6254 1.5070 O.3 1 UNL111111111 -0.4349 6 O 2.7648 4.4172 0.0012 O.3 1 UNL111111111 -0.5691 7 O -0.2132 2.6845 1.6064 O.3 1 UNL111111111 -0.2200 8 O 6.1480 0.4104 -0.8348 O.2 1 UNL111111111 -0.5127 9 O -2.4395 2.2677 0.1853 O.3 1 UNL111111111 -0.1176 10 O -1.8633 0.8975 2.2134 O.3 1 UNL111111111 -0.4046 11 O 4.7082 -3.8749 -0.5593 O.2 1 UNL111111111 -0.4772 12 O -2.4899 3.4255 2.3019 O.2 1 UNL111111111 -0.2172 13 O -1.3136 0.6589 -1.1238 O.3 1 UNL111111111 -0.1676 14 O -1.5276 3.0059 -2.0259 O.3 1 UNL111111111 -0.3440 15 O -3.7165 1.6458 -1.7993 O.2 1 UNL111111111 -0.2134 16 O -1.6452 -3.7637 0.0813 O.2 1 UNL111111111 -0.5812 17 O -1.3997 -1.6930 -2.1435 O.3 1 UNL111111111 -0.3664 18 O -0.1305 0.1030 -3.2337 O.3 1 UNL111111111 -0.3544 19 O 0.6802 -0.7338 -0.8967 O.2 1 UNL111111111 -0.3410 20 N 4.0675 0.0616 0.0511 N.ar 1 UNL111111111 -0.4896 21 N 5.4282 -1.7542 -0.6961 N.ar 1 UNL111111111 -0.6277 22 N -1.0072 -2.9709 2.1035 N.am 1 UNL111111111 -0.5825 23 C 2.1849 3.1319 -0.0842 C.3 1 UNL111111111 0.1313 24 C 2.0611 2.5038 1.3189 C.3 1 UNL111111111 0.0298 25 C 3.2262 2.2679 -0.8032 C.3 1 UNL111111111 -0.3744 26 C 3.9418 1.5134 0.3254 C.3 1 UNL111111111 0.3214 27 C 0.7859 1.6492 1.4746 C.3 1 UNL111111111 -0.0718 28 C 3.0699 -0.8225 0.3996 C.ar 1 UNL111111111 0.1995 29 C 5.2872 -0.3816 -0.5149 C.ar 1 UNL111111111 0.6983 30 C 3.2254 -2.1701 0.2440 C.ar 1 UNL111111111 -0.3175 31 C 4.4373 -2.7184 -0.3407 C.ar 1 UNL111111111 0.6202 32 C 2.1772 -3.0964 0.6350 C.2 1 UNL111111111 -0.0438 33 C 1.3841 -2.8592 1.6874 C.2 1 UNL111111111 -0.2427 34 C 0.2403 -3.7526 2.0562 C.3 1 UNL111111111 -0.0701 35 C -1.8419 -2.9913 1.0024 C.2 1 UNL111111111 0.5984 36 C -3.0434 -2.0729 1.0684 C.3 1 UNL111111111 -0.3592 37 C -4.0637 -2.4699 0.0095 C.3 1 UNL111111111 -0.3008 38 C -6.3476 -1.3469 -1.2836 C.3 1 UNL111111111 -0.5000 39 H 1.2161 3.2151 -0.6230 H 1 UNL111111111 0.1632 40 H 2.1621 3.2550 2.1310 H 1 UNL111111111 0.1557 41 H 3.9326 2.8975 -1.3804 H 1 UNL111111111 0.1881 42 H 2.7539 1.5861 -1.5335 H 1 UNL111111111 0.1852 43 H 4.9540 1.9254 0.5787 H 1 UNL111111111 0.1764 44 H 0.8468 1.0327 2.3932 H 1 UNL111111111 0.1367 45 H 0.6349 0.9873 0.5995 H 1 UNL111111111 0.1786 46 H 2.1931 5.0221 0.5115 H 1 UNL111111111 0.3236 47 H 2.1477 -0.3832 0.8187 H 1 UNL111111111 0.2029 48 H 6.3030 -2.0863 -1.1119 H 1 UNL111111111 0.3472 49 H 2.0795 -3.9956 0.0178 H 1 UNL111111111 0.1720 50 H 1.5083 -1.9882 2.3248 H 1 UNL111111111 0.1453 51 H -2.8531 0.6333 2.2473 H 1 UNL111111111 0.3278 52 H 0.1181 -4.6007 1.3350 H 1 UNL111111111 0.1777 53 H 0.4033 -4.2158 3.0570 H 1 UNL111111111 0.1440 54 H -1.0163 -2.1783 2.7269 H 1 UNL111111111 0.3073 55 H -1.0962 2.6216 -2.8791 H 1 UNL111111111 0.3234 56 H -3.4811 -2.0968 2.0875 H 1 UNL111111111 0.1650 57 H -2.7013 -1.0244 0.9001 H 1 UNL111111111 0.2019 58 H -3.7024 -2.2000 -1.0042 H 1 UNL111111111 0.1802 59 H -4.2217 -3.5651 -0.0057 H 1 UNL111111111 0.1646 60 H -1.2990 -2.4407 -1.4296 H 1 UNL111111111 0.3514 61 H 0.3544 -0.6239 -3.7710 H 1 UNL111111111 0.3153 62 H -7.2908 -0.7974 -1.1775 H 1 UNL111111111 0.1684 63 H -6.5613 -2.2863 -1.8023 H 1 UNL111111111 0.1590 64 H -5.6788 -0.7397 -1.9061 H 1 UNL111111111 0.1807 @BOND 1 1 37 1 2 1 38 1 3 2 7 1 4 2 9 1 5 2 10 1 6 2 12 2 7 3 9 1 8 3 13 1 9 3 14 1 10 3 15 2 11 4 13 1 12 4 17 1 13 4 18 1 14 4 19 2 15 5 24 1 16 5 26 1 17 6 23 1 18 6 46 1 19 7 27 1 20 8 29 2 21 10 51 1 22 11 31 2 23 14 55 1 24 16 35 2 25 17 60 1 26 18 61 1 27 20 26 1 28 20 28 ar 29 20 29 ar 30 21 29 ar 31 21 31 ar 32 21 48 1 33 22 34 1 34 22 35 am 35 22 54 1 36 23 24 1 37 23 25 1 38 23 39 1 39 24 27 1 40 24 40 1 41 25 26 1 42 25 41 1 43 25 42 1 44 26 43 1 45 27 44 1 46 27 45 1 47 28 30 ar 48 28 47 1 49 30 31 ar 50 30 32 1 51 32 33 2 52 32 49 1 53 33 34 1 54 33 50 1 55 34 52 1 56 34 53 1 57 35 36 1 58 36 37 1 59 36 56 1 60 36 57 1 61 37 58 1 62 37 59 1 63 38 62 1 64 38 63 1 65 38 64 1