@MOLECULE 9-[(2r,3s)-2-hydroxy-3-nonanyl]-3,9-dihydro-6h-purin-6-one 42 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.2690 -4.1156 0.3866 O.3 1 UNL1 -0.5439 2 O 3.6334 2.9648 -1.0269 O.2 1 UNL1 -0.3615 3 N 0.8714 -0.7094 -0.3615 N.ar 1 UNL1 -0.3300 4 N 1.7150 0.5246 1.6577 N.ar 1 UNL1 -0.5220 5 N 1.8788 0.5781 -1.9375 N.ar 1 UNL1 -0.2709 6 N 3.1145 2.3894 1.1172 N.ar 1 UNL1 -0.5303 7 C 0.0351 -1.7472 0.2292 C.3 1 UNL1 0.0116 8 C -1.4212 -1.6118 -0.2501 C.3 1 UNL1 -0.2974 9 C -2.0635 -0.3180 0.2588 C.3 1 UNL1 -0.2748 10 C 0.5941 -3.1557 -0.1706 C.3 1 UNL1 0.1533 11 C -3.5153 -0.2161 -0.2261 C.3 1 UNL1 -0.2672 12 C -4.1323 1.1210 0.2024 C.3 1 UNL1 -0.2703 13 C 1.5743 0.2803 0.3044 C.ar 1 UNL1 0.2071 14 C 2.0268 -3.3582 0.2961 C.3 1 UNL1 -0.5105 15 C 1.0845 -0.4747 -1.7456 C.ar 1 UNL1 0.0746 16 C 2.2037 1.0749 -0.6893 C.ar 1 UNL1 -0.1684 17 C -5.6085 1.1959 -0.2097 C.3 1 UNL1 -0.2513 18 C -6.2142 2.5435 0.1824 C.3 1 UNL1 -0.4393 19 C 3.0389 2.2116 -0.3085 C.ar 1 UNL1 0.5964 20 C 2.5235 1.6425 1.9823 C.ar 1 UNL1 0.3136 21 H 0.0637 -1.6560 1.3446 H 1 UNL1 0.1393 22 H -1.4740 -1.6548 -1.3547 H 1 UNL1 0.1554 23 H -1.9980 -2.4942 0.1044 H 1 UNL1 0.1752 24 H -2.0332 -0.2778 1.3628 H 1 UNL1 0.1323 25 H -1.4893 0.5610 -0.0959 H 1 UNL1 0.1488 26 H 0.4791 -3.3333 -1.2653 H 1 UNL1 0.1549 27 H -4.1097 -1.0573 0.1766 H 1 UNL1 0.1375 28 H -3.5570 -0.3128 -1.3278 H 1 UNL1 0.1410 29 H -3.5708 1.9598 -0.2517 H 1 UNL1 0.1426 30 H -4.0399 1.2524 1.2962 H 1 UNL1 0.1351 31 H 2.1539 -3.1784 1.3679 H 1 UNL1 0.1496 32 H 2.3585 -4.3876 0.0949 H 1 UNL1 0.1731 33 H 2.7235 -2.6916 -0.2324 H 1 UNL1 0.1758 34 H 0.6430 -1.0910 -2.5092 H 1 UNL1 0.1973 35 H -6.1764 0.3738 0.2649 H 1 UNL1 0.1318 36 H -5.7060 1.0417 -1.3011 H 1 UNL1 0.1352 37 H -0.0757 -4.2769 1.3312 H 1 UNL1 0.3185 38 H 1.2343 -0.0214 2.3488 H 1 UNL1 0.3207 39 H -6.1529 2.7120 1.2632 H 1 UNL1 0.1418 40 H -5.6959 3.3740 -0.3107 H 1 UNL1 0.1455 41 H -7.2711 2.6014 -0.1003 H 1 UNL1 0.1410 42 H 2.6219 1.8348 3.0642 H 1 UNL1 0.1891 @BOND 1 34 15 1 2 5 15 ar 3 5 16 ar 4 15 3 ar 5 22 8 1 6 28 11 1 7 36 17 1 8 26 10 1 9 2 19 2 10 16 19 ar 11 16 13 ar 12 3 7 1 13 3 13 ar 14 40 18 1 15 19 6 ar 16 29 12 1 17 8 23 1 18 8 7 1 19 8 9 1 20 33 14 1 21 11 27 1 22 11 12 1 23 11 9 1 24 17 18 1 25 17 12 1 26 17 35 1 27 10 7 1 28 10 14 1 29 10 1 1 30 41 18 1 31 25 9 1 32 32 14 1 33 18 39 1 34 12 30 1 35 7 21 1 36 9 24 1 37 14 31 1 38 13 4 ar 39 1 37 1 40 6 20 ar 41 4 20 ar 42 4 38 1 43 20 42 1