@MOLECULE methyl 4-heptylbenzoate 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0518 -1.0809 0.0166 O.3 1 UNL1111111111 -0.0996 2 O -5.0870 0.8225 1.2057 O.2 1 UNL1111111111 -0.3079 3 C 3.3702 0.3459 -0.6378 C.3 1 UNL1111111111 -0.3688 4 C 4.3278 -0.2911 0.3772 C.3 1 UNL1111111111 -0.4897 5 C 1.9130 0.1007 -0.2294 C.3 1 UNL1111111111 -0.0681 6 C 5.7870 -0.0424 -0.0236 C.3 1 UNL1111111111 -0.2980 7 C 0.9556 0.7210 -1.2604 C.3 1 UNL1111111111 -0.7150 8 C 6.7458 -0.6762 0.9931 C.3 1 UNL1111111111 -0.0917 9 C -0.4604 0.5341 -0.8129 C.ar 1 UNL1111111111 0.2736 10 C 8.2014 -0.4332 0.5944 C.3 1 UNL1111111111 -0.8616 11 C -1.0619 1.4912 0.0098 C.ar 1 UNL1111111111 -0.3284 12 C -1.1791 -0.5990 -1.2053 C.ar 1 UNL1111111111 -0.3244 13 C -2.3749 1.3218 0.4325 C.ar 1 UNL1111111111 -0.2300 14 C -2.4937 -0.7723 -0.7837 C.ar 1 UNL1111111111 -0.2329 15 C -3.0913 0.1898 0.0326 C.ar 1 UNL1111111111 0.1552 16 C -4.4807 0.0577 0.4967 C.2 1 UNL1111111111 0.1619 17 C -6.4028 -1.3064 0.4058 C.3 1 UNL1111111111 -0.6742 18 H 3.5672 1.4318 -0.7129 H 1 UNL1111111111 0.1713 19 H 3.5584 -0.0677 -1.6462 H 1 UNL1111111111 0.1745 20 H 4.1355 -1.3779 0.4503 H 1 UNL1111111111 0.2062 21 H 4.1379 0.1189 1.3869 H 1 UNL1111111111 0.1984 22 H 1.7165 -0.9841 -0.1361 H 1 UNL1111111111 0.1480 23 H 1.7195 0.5291 0.7731 H 1 UNL1111111111 0.1419 24 H 5.9799 -0.4542 -1.0316 H 1 UNL1111111111 0.1592 25 H 5.9811 1.0437 -0.0986 H 1 UNL1111111111 0.1537 26 H 1.1234 0.2627 -2.2558 H 1 UNL1111111111 0.2367 27 H 1.1891 1.7970 -1.3943 H 1 UNL1111111111 0.2278 28 H 6.5514 -1.7627 1.0704 H 1 UNL1111111111 0.1402 29 H 6.5560 -0.2620 2.0014 H 1 UNL1111111111 0.1359 30 H 8.8915 -0.8828 1.3168 H 1 UNL1111111111 0.2522 31 H 8.4254 -0.8652 -0.3873 H 1 UNL1111111111 0.2377 32 H 8.4294 0.6373 0.5435 H 1 UNL1111111111 0.2319 33 H -0.5007 2.3704 0.3204 H 1 UNL1111111111 0.2303 34 H -0.7104 -1.3475 -1.8407 H 1 UNL1111111111 0.2332 35 H -2.8537 2.0667 1.0746 H 1 UNL1111111111 0.2178 36 H -3.0554 -1.6572 -1.0913 H 1 UNL1111111111 0.2417 37 H -6.6442 -2.2549 -0.0871 H 1 UNL1111111111 0.2710 38 H -7.0410 -0.4927 0.0449 H 1 UNL1111111111 0.2267 39 H -6.4735 -1.3909 1.4955 H 1 UNL1111111111 0.2630 @BOND 1 1 16 1 2 1 17 1 3 2 16 2 4 3 4 1 5 3 5 1 6 3 18 1 7 3 19 1 8 4 6 1 9 4 20 1 10 4 21 1 11 5 7 1 12 5 22 1 13 5 23 1 14 6 8 1 15 6 24 1 16 6 25 1 17 7 9 1 18 7 26 1 19 7 27 1 20 8 10 1 21 8 28 1 22 8 29 1 23 9 11 ar 24 9 12 ar 25 10 30 1 26 10 31 1 27 10 32 1 28 11 13 ar 29 11 33 1 30 12 14 ar 31 12 34 1 32 13 15 ar 33 13 35 1 34 14 15 ar 35 14 36 1 36 15 16 1 37 17 37 1 38 17 38 1 39 17 39 1