@MOLECULE 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-(4-pentyn-1-yl)-9h-purin-6-amine 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 CL -0.2578 2.3765 -0.2605 Cl 1 UNL1111 -0.0161 2 C 1.1285 1.4157 -0.4370 C.ar 1 UNL1111 -0.1504 3 C 2.2627 1.7286 0.3215 C.ar 1 UNL1111 0.1925 4 O 2.1457 2.7212 1.2490 O.3 1 UNL1111 -0.3060 5 C 3.0279 3.8220 1.0265 C.3 1 UNL1111 -0.1958 6 C 3.4114 0.9464 0.2029 C.ar 1 UNL1111 0.0042 7 O 4.5683 1.2775 0.8545 O.3 1 UNL1111 -0.2953 8 C 4.5661 0.8243 2.2102 C.3 1 UNL1111 -0.2074 9 C 3.4097 -0.1530 -0.6831 C.ar 1 UNL1111 0.2200 10 O 4.5712 -0.8454 -0.6900 O.3 1 UNL1111 -0.2580 11 C 4.6152 -2.0160 -1.4997 C.3 1 UNL1111 -0.2226 12 C 2.2761 -0.4487 -1.4394 C.ar 1 UNL1111 -0.3281 13 C 1.1234 0.3316 -1.3071 C.ar 1 UNL1111 0.0665 14 C -0.0840 -0.0126 -2.1218 C.3 1 UNL1111 -0.2716 15 C -1.3585 -0.0472 -1.3579 C.ar 1 UNL1111 0.2629 16 N -2.5083 0.4377 -1.8421 N.ar 1 UNL1111 -0.3609 17 C -3.4760 0.2045 -0.8731 C.ar 1 UNL1111 -0.2053 18 C -4.8649 0.4940 -0.7843 C.ar 1 UNL1111 0.4801 19 N -5.5542 1.1222 -1.7693 N.pl3 1 UNL1111 -0.5438 20 C -2.8734 -0.4601 0.2479 C.ar 1 UNL1111 0.2817 21 N -3.5430 -0.8323 1.3757 N.ar 1 UNL1111 -0.5126 22 C -4.8489 -0.5017 1.3228 C.ar 1 UNL1111 0.5359 23 N -5.5499 0.1245 0.3404 N.ar 1 UNL1111 -0.5796 24 N -1.5386 -0.6261 -0.0719 N.ar 1 UNL1111 -0.3012 25 C -0.5507 -1.1959 0.8355 C.3 1 UNL1111 -0.0707 26 C 0.0437 -2.4912 0.2620 C.3 1 UNL1111 -0.2801 27 C 1.1911 -2.9779 1.1644 C.3 1 UNL1111 -0.2404 28 C 1.9617 -3.9870 0.4976 C.1 1 UNL1111 -0.0449 29 C 2.6212 -4.8255 -0.0743 C.1 1 UNL1111 -0.2523 30 F -5.5600 -0.8324 2.3787 F 1 UNL1111 -0.0958 31 H 2.7561 4.5008 1.8446 H 1 UNL1111 0.1510 32 H 4.0755 3.5127 1.1029 H 1 UNL1111 0.1483 33 H 2.8227 4.2822 0.0555 H 1 UNL1111 0.1354 34 H 5.5399 1.1695 2.5765 H 1 UNL1111 0.1470 35 H 3.7479 1.2878 2.7713 H 1 UNL1111 0.1414 36 H 4.5056 -0.2670 2.2477 H 1 UNL1111 0.1319 37 H 5.6340 -2.3816 -1.3107 H 1 UNL1111 0.1564 38 H 3.8771 -2.7546 -1.1643 H 1 UNL1111 0.1458 39 H 4.4899 -1.7683 -2.5576 H 1 UNL1111 0.1380 40 H 2.2809 -1.2871 -2.1305 H 1 UNL1111 0.1769 41 H -0.1883 0.7451 -2.9491 H 1 UNL1111 0.2084 42 H 0.0467 -0.9842 -2.6565 H 1 UNL1111 0.1776 43 H -6.5316 1.3161 -1.6663 H 1 UNL1111 0.3246 44 H -5.0778 1.4181 -2.6003 H 1 UNL1111 0.3290 45 H 0.2488 -0.4410 1.0308 H 1 UNL1111 0.1617 46 H -1.0448 -1.3983 1.8220 H 1 UNL1111 0.1854 47 H -0.7379 -3.2711 0.1774 H 1 UNL1111 0.1609 48 H 0.4141 -2.3252 -0.7678 H 1 UNL1111 0.1539 49 H 1.8483 -2.1204 1.4502 H 1 UNL1111 0.1676 50 H 0.7791 -3.3648 2.1273 H 1 UNL1111 0.1709 51 H 3.1730 -5.5482 -0.5504 H 1 UNL1111 0.1830 @BOND 1 1 2 1 2 2 3 ar 3 2 13 ar 4 3 4 1 5 3 6 ar 6 4 5 1 7 5 31 1 8 5 32 1 9 5 33 1 10 6 7 1 11 6 9 ar 12 7 8 1 13 8 34 1 14 8 35 1 15 8 36 1 16 9 10 1 17 9 12 ar 18 10 11 1 19 11 37 1 20 11 38 1 21 11 39 1 22 12 13 ar 23 12 40 1 24 13 14 1 25 14 15 1 26 14 41 1 27 14 42 1 28 15 16 ar 29 15 24 ar 30 16 17 ar 31 17 18 ar 32 17 20 ar 33 18 19 1 34 18 23 ar 35 19 43 1 36 19 44 1 37 20 21 ar 38 20 24 ar 39 21 22 ar 40 22 23 ar 41 22 30 1 42 24 25 1 43 25 26 1 44 25 45 1 45 25 46 1 46 26 27 1 47 26 47 1 48 26 48 1 49 27 28 1 50 27 49 1 51 27 50 1 52 28 29 3 53 29 51 1