@MOLECULE interiotherin d 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8160 -2.5527 0.9042 O.3 1 UNL111111 -0.2655 2 O 0.6214 1.4933 -0.5158 O.3 1 UNL111111 -0.4019 3 O -4.6210 -2.0726 -0.2539 O.3 1 UNL111111 -0.3036 4 O -5.1133 -0.0135 -1.3038 O.3 1 UNL111111 -0.3363 5 O 0.5430 -1.0560 -1.6896 O.2 1 UNL111111 -0.3011 6 O 4.0498 -1.8616 1.4429 O.2 1 UNL111111 -0.2896 7 O 2.6724 -2.7519 -0.9770 O.2 1 UNL111111 -0.3513 8 O 1.1721 3.2223 -1.8586 O.2 1 UNL111111 -0.4822 9 C -0.0031 -0.9363 0.6670 C.3 1 UNL111111 -0.0442 10 C -1.3101 -0.3898 0.1657 C.ar 1 UNL111111 -0.1286 11 C -0.8022 2.7470 0.9908 C.3 1 UNL111111 -0.1129 12 C -0.7097 2.0078 -0.3676 C.3 1 UNL111111 0.1018 13 C -0.8083 1.7653 2.1903 C.3 1 UNL111111 -0.1017 14 C -1.6398 0.8290 -0.3937 C.ar 1 UNL111111 0.0383 15 C 0.8183 -0.1287 1.6284 C.2 1 UNL111111 -0.0476 16 C -0.4598 -2.2798 1.3291 C.3 1 UNL111111 -0.0668 17 C -2.2700 -1.4358 0.2776 C.ar 1 UNL111111 0.1920 18 C 0.4759 1.0064 2.2642 C.2 1 UNL111111 -0.1035 19 C 0.8594 -1.2653 -0.5578 C.2 1 UNL111111 0.3528 20 C -2.9294 1.0397 -0.9356 C.ar 1 UNL111111 -0.2743 21 C 0.3262 3.7752 1.0781 C.3 1 UNL111111 -0.4547 22 C -3.5262 -1.2428 -0.2304 C.ar 1 UNL111111 0.0016 23 C 2.1574 -0.6607 1.8811 C.2 1 UNL111111 -0.2322 24 C -1.0556 2.5311 3.5001 C.3 1 UNL111111 -0.4558 25 C -3.8224 -0.0019 -0.8498 C.ar 1 UNL111111 0.2120 26 C 2.2041 -1.9268 -0.2398 C.2 1 UNL111111 0.3072 27 C 2.8171 -1.4724 1.0264 C.2 1 UNL111111 0.0724 28 C -5.6342 -1.3195 -0.9573 C.3 1 UNL111111 0.1501 29 C 1.4649 2.1902 -1.3163 C.2 1 UNL111111 0.6675 30 C 2.7647 1.4911 -1.3789 C.2 1 UNL111111 -0.5455 31 C 4.8584 -2.5891 0.5245 C.3 1 UNL111111 -0.1982 32 C 3.6690 1.5718 -0.4073 C.3 1 UNL111111 0.5132 33 C 2.9880 0.7793 -2.5623 C.2 1 UNL111111 -0.1397 34 C 3.1147 0.2062 -3.6170 C.3 1 UNL111111 0.1200 35 H -1.7823 3.2915 1.0010 H 1 UNL111111 0.1491 36 H -0.9283 2.7149 -1.2070 H 1 UNL111111 0.1668 37 H -1.6657 1.0519 2.0662 H 1 UNL111111 0.1620 38 H 0.1169 -3.1609 1.0090 H 1 UNL111111 0.1526 39 H -0.4926 -2.2144 2.4280 H 1 UNL111111 0.1553 40 H 1.2103 1.4781 2.9282 H 1 UNL111111 0.1466 41 H -3.1961 1.9808 -1.4061 H 1 UNL111111 0.1856 42 H 0.3686 4.3990 0.1732 H 1 UNL111111 0.1646 43 H 0.1900 4.4516 1.9276 H 1 UNL111111 0.1453 44 H 1.3054 3.2979 1.1943 H 1 UNL111111 0.1450 45 H 2.6371 -0.3588 2.8144 H 1 UNL111111 0.1773 46 H -0.2544 3.2430 3.7231 H 1 UNL111111 0.1447 47 H -1.9940 3.0960 3.4554 H 1 UNL111111 0.1488 48 H -1.1300 1.8427 4.3488 H 1 UNL111111 0.1459 49 H -6.4788 -1.1671 -0.2709 H 1 UNL111111 0.1397 50 H -5.8603 -1.8473 -1.8943 H 1 UNL111111 0.1442 51 H 4.9966 -2.0394 -0.4107 H 1 UNL111111 0.1421 52 H 4.4349 -3.5813 0.3328 H 1 UNL111111 0.1499 53 H 5.8053 -2.6706 1.0740 H 1 UNL111111 0.1431 @BOND 1 49 28 1 2 50 28 1 3 4 28 1 4 4 25 1 5 28 3 1 6 41 20 1 7 25 20 ar 8 25 22 ar 9 3 22 1 10 20 14 ar 11 22 17 ar 12 36 12 1 13 35 11 1 14 14 12 1 15 14 10 ar 16 12 11 1 17 12 2 1 18 17 10 ar 19 17 1 1 20 47 24 1 21 11 21 1 22 11 13 1 23 42 21 1 24 8 29 2 25 10 9 1 26 37 13 1 27 21 43 1 28 21 44 1 29 13 24 1 30 13 18 1 31 2 29 1 32 1 16 1 33 24 46 1 34 24 48 1 35 29 30 1 36 5 19 2 37 34 33 1 38 9 19 1 39 9 16 1 40 9 15 1 41 19 26 1 42 16 39 1 43 16 38 1 44 18 15 2 45 18 40 1 46 30 33 2 47 30 32 1 48 15 23 1 49 26 7 2 50 26 27 1 51 23 27 2 52 23 45 1 53 27 6 1 54 6 31 1 55 51 31 1 56 52 31 1 57 31 53 1