@MOLECULE 1-(butylamino)-3-[(2-methyl-1h-indol-4-yl)oxy]-2-propanyl benzoate 56 58 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.7493 -1.4048 0.3995 O.3 1 UNL11111111 -0.3268 2 O -0.2614 1.2726 0.4353 O.3 1 UNL11111111 -0.4149 3 O 0.4168 1.9538 2.4602 O.2 1 UNL11111111 -0.5148 4 N -3.7973 0.4684 0.3255 N.3 1 UNL11111111 -0.5421 5 N 3.4644 -2.2157 -1.2569 N.ar 1 UNL11111111 -0.4058 6 C -1.4694 0.7607 1.0137 C.3 1 UNL11111111 0.1028 7 C -2.4442 0.7907 -0.1795 C.3 1 UNL11111111 -0.1443 8 C -1.2301 -0.6670 1.5223 C.3 1 UNL11111111 -0.0837 9 C -4.7988 0.5273 -0.7659 C.3 1 UNL11111111 -0.1105 10 C -6.1627 0.0835 -0.2073 C.3 1 UNL11111111 -0.2829 11 C 1.3984 -1.8998 -0.3685 C.ar 1 UNL11111111 -0.1395 12 C 0.4222 -2.0620 0.6209 C.ar 1 UNL11111111 0.2781 13 C 2.6451 -2.5753 -0.1913 C.ar 1 UNL11111111 0.1445 14 C -7.2352 0.1994 -1.2980 C.3 1 UNL11111111 -0.2544 15 C 1.4812 -1.1409 -1.5816 C.ar 1 UNL11111111 -0.2334 16 C 2.7453 -1.3470 -2.1024 C.ar 1 UNL11111111 0.1276 17 C 0.6487 -2.8996 1.7055 C.ar 1 UNL11111111 -0.3248 18 C 2.8982 -3.4122 0.9065 C.ar 1 UNL11111111 -0.2721 19 C -8.5992 -0.2633 -0.7867 C.3 1 UNL11111111 -0.4371 20 C 1.8802 -3.5717 1.8297 C.ar 1 UNL11111111 -0.0594 21 C 3.3810 -0.8124 -3.3210 C.3 1 UNL11111111 -0.4467 22 C 0.6353 1.8364 1.2788 C.2 1 UNL11111111 0.6067 23 C 1.8509 2.2592 0.5613 C.ar 1 UNL11111111 -0.1329 24 C 3.0358 2.3370 1.2959 C.ar 1 UNL11111111 -0.0777 25 C 1.8304 2.5749 -0.7953 C.ar 1 UNL11111111 -0.0709 26 C 4.2087 2.7413 0.6654 C.ar 1 UNL11111111 -0.1730 27 C 3.0059 2.9914 -1.4181 C.ar 1 UNL11111111 -0.1783 28 C 4.1923 3.0738 -0.6889 C.ar 1 UNL11111111 -0.1072 29 H -1.7965 1.4238 1.8467 H 1 UNL11111111 0.1452 30 H -2.3755 1.7707 -0.6932 H 1 UNL11111111 0.1236 31 H -2.1457 0.0136 -0.9235 H 1 UNL11111111 0.1767 32 H -2.1871 -1.1535 1.8016 H 1 UNL11111111 0.1610 33 H -0.5286 -0.6818 2.3739 H 1 UNL11111111 0.1475 34 H -4.4785 -0.1643 -1.5762 H 1 UNL11111111 0.1447 35 H -4.8773 1.5383 -1.2194 H 1 UNL11111111 0.1079 36 H -4.0635 1.0940 1.0852 H 1 UNL11111111 0.2481 37 H -6.4400 0.6866 0.6741 H 1 UNL11111111 0.1370 38 H -6.0900 -0.9586 0.1594 H 1 UNL11111111 0.1562 39 H -7.3041 1.2439 -1.6507 H 1 UNL11111111 0.1318 40 H -6.9418 -0.4017 -2.1789 H 1 UNL11111111 0.1361 41 H 0.6923 -0.5363 -1.9740 H 1 UNL11111111 0.1744 42 H 4.3871 -2.5378 -1.4163 H 1 UNL11111111 0.3103 43 H -0.1202 -3.0456 2.4551 H 1 UNL11111111 0.1644 44 H 3.8537 -3.9080 1.0195 H 1 UNL11111111 0.1567 45 H -8.5714 -1.3078 -0.4572 H 1 UNL11111111 0.1446 46 H -9.3630 -0.1878 -1.5714 H 1 UNL11111111 0.1407 47 H -8.9379 0.3422 0.0620 H 1 UNL11111111 0.1426 48 H 2.0283 -4.2314 2.6844 H 1 UNL11111111 0.1453 49 H 3.6846 -1.6153 -4.0104 H 1 UNL11111111 0.1607 50 H 4.2757 -0.2161 -3.0880 H 1 UNL11111111 0.1597 51 H 2.6901 -0.1558 -3.8728 H 1 UNL11111111 0.1699 52 H 3.0355 2.0816 2.3602 H 1 UNL11111111 0.1718 53 H 0.9033 2.4905 -1.3648 H 1 UNL11111111 0.1659 54 H 5.1372 2.7993 1.2297 H 1 UNL11111111 0.1547 55 H 2.9985 3.2487 -2.4739 H 1 UNL11111111 0.1508 56 H 5.1082 3.3995 -1.1787 H 1 UNL11111111 0.1452 @BOND 1 49 21 1 2 51 21 1 3 21 50 1 4 21 16 1 5 55 27 1 6 40 14 1 7 16 15 ar 8 16 5 ar 9 41 15 1 10 39 14 1 11 15 11 ar 12 34 9 1 13 46 19 1 14 42 5 1 15 27 25 ar 16 27 28 ar 17 53 25 1 18 14 19 1 19 14 10 1 20 5 13 ar 21 35 9 1 22 56 28 1 23 31 7 1 24 25 23 ar 25 19 45 1 26 19 47 1 27 9 10 1 28 9 4 1 29 30 7 1 30 28 26 ar 31 11 13 ar 32 11 12 ar 33 10 38 1 34 10 37 1 35 13 18 ar 36 7 4 1 37 7 6 1 38 4 36 1 39 1 12 1 40 1 8 1 41 2 6 1 42 2 22 1 43 23 22 1 44 23 24 ar 45 12 17 ar 46 26 54 1 47 26 24 ar 48 18 44 1 49 18 20 ar 50 6 8 1 51 6 29 1 52 22 3 2 53 24 52 1 54 8 32 1 55 8 33 1 56 17 20 ar 57 17 43 1 58 20 48 1