@MOLECULE 11(r)-hpete 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1058 1.6358 0.4203 O.3 1 UNL1111111111 -0.1238 2 O 4.3482 2.5957 -0.6019 O.3 1 UNL1111111111 -0.3090 3 O -2.4714 0.8630 2.8968 O.3 1 UNL1111111111 -0.5781 4 O -1.0902 -0.7151 3.6421 O.2 1 UNL1111111111 -0.5083 5 C -2.2456 1.0352 -2.1514 C.3 1 UNL1111111111 -0.2578 6 C -3.6116 0.8274 -1.4869 C.3 1 UNL1111111111 -0.2760 7 C -4.0933 -0.6173 -1.6696 C.3 1 UNL1111111111 -0.2543 8 C -1.7600 2.4867 -1.9996 C.3 1 UNL1111111111 -0.2891 9 C -5.3637 -0.8729 -0.8599 C.3 1 UNL1111111111 -0.4402 10 C -1.5883 2.8451 -0.5591 C.2 1 UNL1111111111 -0.1094 11 C 2.9450 0.9025 0.0247 C.3 1 UNL1111111111 0.0282 12 C 3.1047 -0.4458 0.7530 C.3 1 UNL1111111111 -0.3015 13 C -0.7651 -1.8408 1.0724 C.3 1 UNL1111111111 -0.2436 14 C -0.7839 -2.2988 -0.3930 C.3 1 UNL1111111111 -0.2732 15 C -0.5139 2.5594 0.1905 C.2 1 UNL1111111111 -0.2017 16 C -1.6712 -0.6256 1.2755 C.3 1 UNL1111111111 -0.3642 17 C 1.7253 1.6276 0.5042 C.2 1 UNL1111111111 -0.2124 18 C 2.0612 -2.1438 -1.5453 C.3 1 UNL1111111111 -0.2843 19 C 3.9409 -1.3755 -0.0634 C.2 1 UNL1111111111 -0.1481 20 C 0.1500 -3.4539 -0.5624 C.2 1 UNL1111111111 -0.1755 21 C 0.6656 1.8516 -0.2833 C.2 1 UNL1111111111 -0.1430 22 C 3.4828 -2.1210 -1.0734 C.2 1 UNL1111111111 -0.1637 23 C 1.3877 -3.3883 -1.0602 C.2 1 UNL1111111111 -0.1427 24 C -1.6712 -0.2242 2.7112 C.2 1 UNL1111111111 0.6524 25 H -1.5008 0.3449 -1.7110 H 1 UNL1111111111 0.1373 26 H -2.3046 0.7755 -3.2251 H 1 UNL1111111111 0.1353 27 H -3.5509 1.0752 -0.4092 H 1 UNL1111111111 0.1458 28 H -4.3535 1.5295 -1.9095 H 1 UNL1111111111 0.1374 29 H -0.8112 2.6231 -2.5584 H 1 UNL1111111111 0.1497 30 H -2.4810 3.1739 -2.4869 H 1 UNL1111111111 0.1426 31 H -3.3013 -1.3267 -1.3622 H 1 UNL1111111111 0.1322 32 H -4.2785 -0.8213 -2.7411 H 1 UNL1111111111 0.1338 33 H -5.1976 -0.7148 0.2119 H 1 UNL1111111111 0.1444 34 H -6.1753 -0.2033 -1.1662 H 1 UNL1111111111 0.1431 35 H -5.7193 -1.9008 -0.9911 H 1 UNL1111111111 0.1413 36 H -2.4373 3.3753 -0.1232 H 1 UNL1111111111 0.1422 37 H 2.9593 0.7715 -1.0819 H 1 UNL1111111111 0.1558 38 H 3.5571 -0.2807 1.7541 H 1 UNL1111111111 0.1618 39 H 2.1047 -0.8843 0.9591 H 1 UNL1111111111 0.1662 40 H -1.0779 -2.6703 1.7374 H 1 UNL1111111111 0.1568 41 H 0.2729 -1.6003 1.3820 H 1 UNL1111111111 0.1545 42 H -0.5212 -1.4571 -1.0625 H 1 UNL1111111111 0.1412 43 H -1.8121 -2.5990 -0.6860 H 1 UNL1111111111 0.1434 44 H -0.4874 2.8688 1.2401 H 1 UNL1111111111 0.1548 45 H -1.3389 0.2325 0.6425 H 1 UNL1111111111 0.1957 46 H -2.7098 -0.8364 0.9365 H 1 UNL1111111111 0.1848 47 H 1.7707 1.9618 1.5391 H 1 UNL1111111111 0.1601 48 H 2.0294 -2.1171 -2.6584 H 1 UNL1111111111 0.1539 49 H 1.5162 -1.2316 -1.2227 H 1 UNL1111111111 0.1554 50 H 4.9953 -1.3985 0.2159 H 1 UNL1111111111 0.1504 51 H -0.2588 -4.4057 -0.2226 H 1 UNL1111111111 0.1427 52 H 0.6475 1.5131 -1.3209 H 1 UNL1111111111 0.1484 53 H 4.1483 -2.7845 -1.6251 H 1 UNL1111111111 0.1431 54 H 2.0014 -4.2877 -1.1415 H 1 UNL1111111111 0.1424 55 H 4.0364 3.4143 -0.1465 H 1 UNL1111111111 0.2676 56 H -2.5100 1.1696 3.8358 H 1 UNL1111111111 0.3550 @BOND 1 1 2 1 2 1 11 1 3 2 55 1 4 3 24 1 5 3 56 1 6 4 24 2 7 5 6 1 8 5 8 1 9 5 25 1 10 5 26 1 11 6 7 1 12 6 27 1 13 6 28 1 14 7 9 1 15 7 31 1 16 7 32 1 17 8 10 1 18 8 29 1 19 8 30 1 20 9 33 1 21 9 34 1 22 9 35 1 23 10 15 2 24 10 36 1 25 11 12 1 26 11 17 1 27 11 37 1 28 12 19 1 29 12 38 1 30 12 39 1 31 13 14 1 32 13 16 1 33 13 40 1 34 13 41 1 35 14 20 1 36 14 42 1 37 14 43 1 38 15 21 1 39 15 44 1 40 16 24 1 41 16 45 1 42 16 46 1 43 17 21 2 44 17 47 1 45 18 22 1 46 18 23 1 47 18 48 1 48 18 49 1 49 19 22 2 50 19 50 1 51 20 23 2 52 20 51 1 53 21 52 1 54 22 53 1 55 23 54 1