@MOLECULE s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lamb da~5~-diphosphaheptadecan-17-yl} 1-hydroxy-2-naphthalenecarbothioate (non-preferred name) 103 107 0 0 0 SMALL GASTEIGER @ATOM 1 O -14.1367 0.8216 2.4510 O.3 1 UNL1111 -0.4633 2 C -14.3712 1.2675 1.2170 C.ar 1 UNL1111 0.4160 3 C -15.6148 1.9712 1.0758 C.ar 1 UNL1111 -0.1475 4 C -16.5082 2.1480 2.1590 C.ar 1 UNL1111 -0.0677 5 C -17.6852 2.8367 1.9765 C.ar 1 UNL1111 -0.1941 6 C -18.0053 3.3704 0.7084 C.ar 1 UNL1111 -0.0858 7 C -17.1523 3.2021 -0.3575 C.ar 1 UNL1111 -0.2055 8 C -15.9376 2.4923 -0.1926 C.ar 1 UNL1111 0.0996 9 C -15.0379 2.2919 -1.2842 C.ar 1 UNL1111 -0.2565 10 C -13.8668 1.6116 -1.1187 C.ar 1 UNL1111 -0.0192 11 C -13.4920 1.0762 0.1484 C.ar 1 UNL1111 -0.3791 12 C -12.2518 0.3599 0.3663 C.2 1 UNL1111 0.4703 13 O -11.9235 -0.0957 1.4477 O.2 1 UNL1111 -0.5370 14 S -11.1304 0.1266 -1.0285 S.3 1 UNL1111 -0.0203 15 C -9.7391 -0.7534 -0.2217 C.3 1 UNL1111 -0.3546 16 C -8.7256 -1.1573 -1.2915 C.3 1 UNL1111 -0.0501 17 N -7.5068 -1.6923 -0.6572 N.am 1 UNL1111 -0.6199 18 C -6.4595 -2.0570 -1.4793 C.2 1 UNL1111 0.5884 19 O -6.5697 -1.9641 -2.6839 O.2 1 UNL1111 -0.5298 20 C -5.2021 -2.5412 -0.7933 C.3 1 UNL1111 -0.3960 21 C -4.1781 -2.9546 -1.8703 C.3 1 UNL1111 -0.0406 22 N -2.9936 -3.5551 -1.2573 N.am 1 UNL1111 -0.5943 23 C -1.7383 -3.0184 -1.4301 C.2 1 UNL1111 0.5320 24 O -1.5480 -2.0202 -2.0912 O.2 1 UNL1111 -0.5279 25 C -0.6265 -3.8588 -0.7813 C.3 1 UNL1111 0.0269 26 O -1.1064 -4.3336 0.4585 O.3 1 UNL1111 -0.5574 27 C 0.7389 -3.1486 -0.6100 C.3 1 UNL1111 0.0428 28 C 1.3422 -2.8621 -1.9842 C.3 1 UNL1111 -0.4614 29 C 0.6032 -1.8515 0.1831 C.3 1 UNL1111 -0.4662 30 C 1.6206 -4.1629 0.1731 C.3 1 UNL1111 -0.0342 31 O 2.9118 -3.4995 0.2594 O.3 1 UNL1111 -0.2669 32 P 4.1519 -4.4422 0.6359 P.3 1 UNL1111 0.3590 33 O 4.8168 -4.7981 -0.7586 O.3 1 UNL1111 -0.3185 34 O 3.9479 -5.5958 1.4945 O.2 1 UNL1111 -0.2046 35 O 5.1641 -3.5143 1.4064 O.3 1 UNL1111 -0.2149 36 P 6.1340 -2.2804 1.5839 P.3 1 UNL1111 0.3791 37 O 7.5140 -2.7045 1.4984 O.2 1 UNL1111 -0.2226 38 O 5.6957 -1.7316 3.0146 O.3 1 UNL1111 -0.3717 39 O 5.5770 -1.1939 0.5541 O.3 1 UNL1111 -0.2453 40 C 5.9110 0.1988 0.7158 C.3 1 UNL1111 -0.0482 41 C 7.0020 0.5336 -0.3113 C.3 1 UNL1111 0.0437 42 O 6.5542 1.7163 -0.9861 O.3 1 UNL1111 -0.4305 43 C 8.4094 0.8255 0.2782 C.3 1 UNL1111 0.1103 44 O 9.0783 -0.3848 0.0417 O.3 1 UNL1111 -0.3675 45 P 10.6633 -0.6518 0.2452 P.3 1 UNL1111 0.3482 46 O 11.4042 0.1526 1.1956 O.2 1 UNL1111 -0.2691 47 O 10.6274 -2.2070 0.5497 O.3 1 UNL1111 -0.2519 48 O 11.1330 -0.5939 -1.2729 O.3 1 UNL1111 -0.3321 49 C 8.8923 2.0759 -0.5151 C.3 1 UNL1111 0.0410 50 O 9.6954 1.6800 -1.6055 O.3 1 UNL1111 -0.5358 51 C 7.5801 2.6636 -1.1157 C.3 1 UNL1111 0.2567 52 N 7.1430 3.8441 -0.3649 N.ar 1 UNL1111 -0.3897 53 C 6.0266 3.9580 0.5031 C.ar 1 UNL1111 0.1460 54 N 5.8420 5.2130 0.9055 N.ar 1 UNL1111 -0.3431 55 C 6.8339 5.9743 0.2901 C.ar 1 UNL1111 -0.1993 56 C 7.6574 5.1221 -0.5198 C.ar 1 UNL1111 0.2765 57 N 8.7195 5.5401 -1.2568 N.ar 1 UNL1111 -0.5252 58 C 8.9373 6.8710 -1.1861 C.ar 1 UNL1111 0.3034 59 N 8.2247 7.7760 -0.4711 N.ar 1 UNL1111 -0.5700 60 C 7.1652 7.3556 0.2853 C.ar 1 UNL1111 0.4668 61 N 6.4733 8.2802 0.9983 N.pl3 1 UNL1111 -0.5491 62 H -13.2435 0.3282 2.5127 H 1 UNL1111 0.3858 63 H -16.2452 1.7292 3.1334 H 1 UNL1111 0.1715 64 H -18.3814 2.9765 2.8012 H 1 UNL1111 0.1589 65 H -18.9407 3.9175 0.5864 H 1 UNL1111 0.1517 66 H -17.3969 3.6084 -1.3370 H 1 UNL1111 0.1598 67 H -15.3121 2.6993 -2.2549 H 1 UNL1111 0.1647 68 H -13.2078 1.4767 -1.9803 H 1 UNL1111 0.1658 69 H -9.2849 -0.0925 0.5427 H 1 UNL1111 0.1749 70 H -10.1223 -1.6379 0.3258 H 1 UNL1111 0.1793 71 H -9.1386 -1.9352 -1.9816 H 1 UNL1111 0.1606 72 H -8.4332 -0.2939 -1.9414 H 1 UNL1111 0.1637 73 H -7.4744 -1.7537 0.3409 H 1 UNL1111 0.3121 74 H -4.7776 -1.7374 -0.1580 H 1 UNL1111 0.1769 75 H -5.4214 -3.3894 -0.1178 H 1 UNL1111 0.1657 76 H -4.6368 -3.6878 -2.5769 H 1 UNL1111 0.1564 77 H -3.8887 -2.0708 -2.4924 H 1 UNL1111 0.1872 78 H -3.1317 -4.3605 -0.6646 H 1 UNL1111 0.3213 79 H -0.5028 -4.8006 -1.3751 H 1 UNL1111 0.1656 80 H -1.0988 -3.6200 1.1332 H 1 UNL1111 0.3264 81 H 0.6971 -2.1891 -2.5704 H 1 UNL1111 0.1748 82 H 2.3142 -2.3596 -1.8882 H 1 UNL1111 0.1650 83 H 1.4975 -3.7733 -2.5691 H 1 UNL1111 0.1438 84 H 0.1597 -1.9989 1.1703 H 1 UNL1111 0.1293 85 H 1.5950 -1.3985 0.3438 H 1 UNL1111 0.1742 86 H -0.0077 -1.1176 -0.3623 H 1 UNL1111 0.1667 87 H 1.2176 -4.3220 1.1953 H 1 UNL1111 0.1366 88 H 1.6364 -5.1340 -0.3637 H 1 UNL1111 0.1350 89 H 4.9548 -3.9382 -1.3033 H 1 UNL1111 0.3178 90 H 4.9746 -2.3476 3.4073 H 1 UNL1111 0.3365 91 H 4.9442 0.6808 0.4306 H 1 UNL1111 0.1480 92 H 6.1663 0.5360 1.7376 H 1 UNL1111 0.1419 93 H 7.0653 -0.2497 -1.1094 H 1 UNL1111 0.1837 94 H 8.3774 1.0547 1.3705 H 1 UNL1111 0.1450 95 H 9.6222 -2.4696 0.6552 H 1 UNL1111 0.3402 96 H 10.6874 0.2558 -1.6644 H 1 UNL1111 0.3434 97 H 9.4469 2.7985 0.1189 H 1 UNL1111 0.1560 98 H 10.1951 2.4674 -1.9361 H 1 UNL1111 0.3361 99 H 7.6572 2.9087 -2.2065 H 1 UNL1111 0.1756 100 H 5.4247 3.1018 0.7697 H 1 UNL1111 0.2040 101 H 9.7825 7.2731 -1.7734 H 1 UNL1111 0.2018 102 H 5.6851 7.9971 1.5497 H 1 UNL1111 0.3289 103 H 6.7260 9.2488 0.9627 H 1 UNL1111 0.3248 @BOND 1 1 2 1 2 1 62 1 3 2 3 ar 4 3 8 ar 5 3 4 ar 6 4 5 ar 7 4 63 1 8 5 6 ar 9 5 64 1 10 6 65 1 11 7 6 ar 12 7 66 1 13 8 7 ar 14 9 8 ar 15 9 67 1 16 10 9 ar 17 10 68 1 18 11 2 ar 19 11 10 ar 20 12 11 1 21 13 12 2 22 14 12 1 23 15 14 1 24 15 69 1 25 15 70 1 26 16 15 1 27 16 71 1 28 16 72 1 29 17 16 1 30 17 73 1 31 18 19 2 32 18 17 am 33 20 18 1 34 20 74 1 35 20 75 1 36 21 20 1 37 21 76 1 38 21 77 1 39 22 21 1 40 22 78 1 41 23 22 am 42 24 23 2 43 25 26 1 44 25 23 1 45 25 79 1 46 26 80 1 47 27 25 1 48 27 28 1 49 28 81 1 50 28 82 1 51 28 83 1 52 29 27 1 53 29 84 1 54 29 85 1 55 29 86 1 56 30 27 1 57 30 87 1 58 30 88 1 59 31 30 1 60 32 35 1 61 32 31 1 62 33 32 1 63 33 89 1 64 34 32 2 65 35 36 1 66 36 38 1 67 36 39 1 68 37 36 2 69 38 90 1 70 40 39 1 71 40 41 1 72 40 91 1 73 40 92 1 74 41 43 1 75 41 42 1 76 41 93 1 77 42 51 1 78 43 44 1 79 43 49 1 80 43 94 1 81 45 47 1 82 45 44 1 83 45 48 1 84 46 45 2 85 47 95 1 86 48 96 1 87 49 51 1 88 49 50 1 89 49 97 1 90 50 98 1 91 51 52 1 92 51 99 1 93 52 56 ar 94 53 52 ar 95 53 54 ar 96 53 100 1 97 54 55 ar 98 55 60 ar 99 56 55 ar 100 56 57 ar 101 57 58 ar 102 58 59 ar 103 58 101 1 104 60 61 1 105 60 59 ar 106 61 102 1 107 61 103 1