@MOLECULE 2,4-diamino-5-(2-methoxy-5-(4-carboxybutyloxy)benzyl)pyrimidine 47 48 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.4719 2.4524 0.1841 O.3 1 UNL11111111111 -0.3531 2 O 3.9845 2.0336 -0.1815 O.3 1 UNL11111111111 -0.3200 3 O -7.7809 -0.8666 -0.8446 O.3 1 UNL11111111111 -0.5751 4 O -6.2588 -1.9676 0.3500 O.2 1 UNL11111111111 -0.5074 5 N 1.9641 -3.2379 0.1444 N.ar 1 UNL11111111111 -0.6280 6 N 4.0485 -2.4271 -0.8132 N.ar 1 UNL11111111111 -0.5591 7 N 0.6855 -1.9637 1.5653 N.pl3 1 UNL11111111111 -0.5949 8 N 3.2139 -4.5561 -1.3280 N.pl3 1 UNL11111111111 -0.5865 9 C -3.5707 1.4451 -0.1124 C.3 1 UNL11111111111 -0.2959 10 C -4.3804 0.1678 0.1175 C.3 1 UNL11111111111 -0.2552 11 C 1.9850 1.2898 0.7262 C.ar 1 UNL11111111111 -0.0110 12 C -2.1874 1.2587 0.5177 C.3 1 UNL11111111111 -0.0388 13 C 2.7647 0.2527 1.4841 C.3 1 UNL11111111111 -0.2243 14 C -0.1124 2.3237 0.1372 C.ar 1 UNL11111111111 0.1985 15 C 0.6025 1.3602 0.8535 C.ar 1 UNL11111111111 -0.2492 16 C -5.7835 0.2859 -0.4791 C.3 1 UNL11111111111 -0.3453 17 C 2.6311 2.2139 -0.1154 C.ar 1 UNL11111111111 0.1641 18 C 2.8276 -1.0384 0.7413 C.ar 1 UNL11111111111 -0.3410 19 C 0.5360 3.2654 -0.6662 C.ar 1 UNL11111111111 -0.1959 20 C 1.9209 3.2034 -0.7912 C.ar 1 UNL11111111111 -0.2181 21 C 1.8480 -2.0625 0.8287 C.ar 1 UNL11111111111 0.4706 22 C 3.9049 -1.2884 -0.1174 C.ar 1 UNL11111111111 0.1876 23 C -6.5620 -0.9703 -0.2483 C.2 1 UNL11111111111 0.6473 24 C 3.0641 -3.3766 -0.6535 C.ar 1 UNL11111111111 0.5597 25 C 4.7154 2.9283 -1.0084 C.3 1 UNL11111111111 -0.1999 26 H -3.4649 1.6666 -1.1925 H 1 UNL11111111111 0.1573 27 H -4.0747 2.3300 0.3222 H 1 UNL11111111111 0.1512 28 H -4.4497 -0.0566 1.2035 H 1 UNL11111111111 0.1531 29 H -3.8520 -0.7027 -0.3250 H 1 UNL11111111111 0.1581 30 H -1.6793 0.3677 0.1060 H 1 UNL11111111111 0.1397 31 H -2.2304 1.1947 1.6178 H 1 UNL11111111111 0.1238 32 H 2.3384 0.1147 2.5006 H 1 UNL11111111111 0.1440 33 H 3.7993 0.6282 1.6793 H 1 UNL11111111111 0.1691 34 H 0.0858 0.6645 1.5074 H 1 UNL11111111111 0.1613 35 H -5.7333 0.5029 -1.5699 H 1 UNL11111111111 0.1847 36 H -6.3311 1.1497 -0.0410 H 1 UNL11111111111 0.1824 37 H -0.0444 4.0233 -1.1900 H 1 UNL11111111111 0.1682 38 H 2.4278 3.9255 -1.4260 H 1 UNL11111111111 0.1609 39 H 4.7011 -0.5401 -0.2647 H 1 UNL11111111111 0.1824 40 H 0.0958 -2.7766 1.6300 H 1 UNL11111111111 0.3155 41 H 0.6293 -1.3010 2.3078 H 1 UNL11111111111 0.3014 42 H 4.6310 3.9566 -0.6424 H 1 UNL11111111111 0.1301 43 H 4.3968 2.8463 -2.0520 H 1 UNL11111111111 0.1349 44 H 5.7424 2.5607 -0.8927 H 1 UNL11111111111 0.1494 45 H -8.3535 -1.6633 -0.7348 H 1 UNL11111111111 0.3570 46 H 3.9933 -4.6858 -1.9396 H 1 UNL11111111111 0.3246 47 H 2.5108 -5.2641 -1.2684 H 1 UNL11111111111 0.3218 @BOND 1 43 25 1 2 46 8 1 3 35 16 1 4 38 20 1 5 8 47 1 6 8 24 1 7 26 9 1 8 37 19 1 9 25 44 1 10 25 42 1 11 25 2 1 12 3 45 1 13 3 23 1 14 6 24 ar 15 6 22 ar 16 20 19 ar 17 20 17 ar 18 19 14 ar 19 24 5 ar 20 16 23 1 21 16 36 1 22 16 10 1 23 29 10 1 24 39 22 1 25 23 4 2 26 2 17 1 27 17 11 ar 28 22 18 ar 29 9 10 1 30 9 27 1 31 9 12 1 32 30 12 1 33 10 28 1 34 14 1 1 35 14 15 ar 36 5 21 ar 37 1 12 1 38 12 31 1 39 11 15 ar 40 11 13 1 41 18 21 ar 42 18 13 1 43 21 7 1 44 15 34 1 45 13 33 1 46 13 32 1 47 7 40 1 48 7 41 1