@MOLECULE mearnsetin 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7990 -0.8281 0.0118 O.2 1 UNL111111111 -0.1878 2 O 0.0453 2.7382 -0.0759 O.3 1 UNL111111111 -0.3765 3 O -4.9786 1.5784 -0.0275 O.3 1 UNL111111111 -0.4559 4 O 5.4208 -0.7985 0.0274 O.3 1 UNL111111111 -0.3192 5 O -2.6532 2.8380 -0.0689 O.2 1 UNL111111111 -0.4790 6 O 4.0107 -0.3412 2.4192 O.3 1 UNL111111111 -0.4387 7 O 3.9877 -0.6444 -2.3794 O.3 1 UNL111111111 -0.4386 8 O -4.8069 -3.1398 0.0772 O.3 1 UNL111111111 -0.4519 9 C -0.0799 0.3451 -0.0110 C.ar 1 UNL111111111 0.0419 10 C -2.8344 0.4977 -0.0126 C.ar 1 UNL111111111 -0.4975 11 C -2.1561 -0.7326 0.0132 C.ar 1 UNL111111111 0.3653 12 C 1.3536 0.0393 -0.0010 C.ar 1 UNL111111111 0.0664 13 C -0.6396 1.5731 -0.0426 C.ar 1 UNL111111111 0.0373 14 C -2.1077 1.7501 -0.0443 C.ar 1 UNL111111111 0.5147 15 C -4.2522 0.4616 -0.0063 C.ar 1 UNL111111111 0.4822 16 C 2.0073 -0.1771 -1.2132 C.ar 1 UNL111111111 -0.2776 17 C 2.0211 -0.0199 1.2217 C.ar 1 UNL111111111 -0.2802 18 C -2.8120 -1.9587 0.0424 C.ar 1 UNL111111111 -0.4295 19 C 3.3932 -0.2882 1.2201 C.ar 1 UNL111111111 0.2915 20 C 3.3801 -0.4415 -1.1915 C.ar 1 UNL111111111 0.2916 21 C -4.2129 -1.9304 0.0472 C.ar 1 UNL111111111 0.4397 22 C -4.9545 -0.7458 0.0236 C.ar 1 UNL111111111 -0.4967 23 C 4.0862 -0.4741 0.0176 C.ar 1 UNL111111111 -0.1172 24 C 6.2585 0.3584 -0.0380 C.3 1 UNL111111111 -0.2168 25 H 1.4728 -0.1578 -2.1614 H 1 UNL111111111 0.1948 26 H 1.4971 0.1202 2.1658 H 1 UNL111111111 0.1949 27 H -2.2711 -2.8997 0.0612 H 1 UNL111111111 0.2051 28 H -6.0375 -0.7407 0.0280 H 1 UNL111111111 0.1928 29 H 1.0290 2.5741 -0.0753 H 1 UNL111111111 0.3160 30 H -4.3768 2.4073 -0.0508 H 1 UNL111111111 0.3848 31 H 4.9576 -0.6387 2.3195 H 1 UNL111111111 0.3412 32 H 4.9368 -0.9239 -2.2504 H 1 UNL111111111 0.3415 33 H -5.7973 -3.0794 0.0790 H 1 UNL111111111 0.3368 34 H 6.0948 1.0090 0.8260 H 1 UNL111111111 0.1356 35 H 6.0901 0.9099 -0.9677 H 1 UNL111111111 0.1357 36 H 7.2670 -0.0733 -0.0170 H 1 UNL111111111 0.1533 @BOND 1 1 9 ar 2 1 11 ar 3 2 13 1 4 2 29 1 5 3 15 1 6 3 30 1 7 4 23 1 8 4 24 1 9 5 14 2 10 6 19 1 11 6 31 1 12 7 20 1 13 7 32 1 14 8 21 1 15 8 33 1 16 9 12 1 17 9 13 ar 18 10 11 ar 19 10 14 ar 20 10 15 ar 21 11 18 ar 22 12 16 ar 23 12 17 ar 24 13 14 ar 25 15 22 ar 26 16 20 ar 27 16 25 1 28 17 19 ar 29 17 26 1 30 18 21 ar 31 18 27 1 32 19 23 ar 33 20 23 ar 34 21 22 ar 35 22 28 1 36 24 34 1 37 24 35 1 38 24 36 1