@MOLECULE callyspongenol c 47 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7428 0.5514 -2.0646 O.3 1 UNL1111111111 -0.5461 2 C 3.3095 -0.9631 -0.0956 C.3 1 UNL1111111111 -0.2615 3 C 2.6795 -2.1059 0.7066 C.3 1 UNL1111111111 -0.2566 4 C 4.0839 -0.0118 0.8328 C.3 1 UNL1111111111 -0.2937 5 C 1.8497 -3.0394 -0.1921 C.3 1 UNL1111111111 -0.2901 6 C 4.5091 1.1972 0.0668 C.2 1 UNL1111111111 -0.0737 7 C 0.6547 -2.3219 -0.7292 C.2 1 UNL1111111111 -0.0692 8 C -3.5002 1.6333 0.9834 C.3 1 UNL1111111111 -0.2431 9 C -3.2808 0.1120 0.9991 C.3 1 UNL1111111111 -0.2896 10 C -2.5627 2.3402 1.9795 C.3 1 UNL1111111111 -0.2463 11 C 3.6984 2.2432 -0.1718 C.2 1 UNL1111111111 -0.1818 12 C -0.5490 -2.3094 -0.1366 C.2 1 UNL1111111111 -0.2084 13 C -4.1293 -0.5278 -0.0502 C.2 1 UNL1111111111 -0.0918 14 C -1.2102 2.3302 1.5130 C.1 1 UNL1111111111 -0.0183 15 C -3.8100 -0.5638 -1.3542 C.2 1 UNL1111111111 -0.1748 16 C 2.3719 2.2925 0.2787 C.1 1 UNL1111111111 -0.0079 17 C -0.8468 -2.9560 1.0739 C.1 1 UNL1111111111 -0.0279 18 C -0.0631 2.3235 1.1080 C.1 1 UNL1111111111 -0.0986 19 C 1.2176 2.3100 0.6687 C.1 1 UNL1111111111 -0.0931 20 C -2.6266 -0.0209 -1.8799 C.1 1 UNL1111111111 -0.0534 21 C -1.1223 -3.5008 2.1212 C.1 1 UNL1111111111 -0.2471 22 C -1.5985 0.4344 -2.3366 C.1 1 UNL1111111111 -0.1542 23 C -0.3610 0.9455 -2.8602 C.3 1 UNL1111111111 0.0413 24 H 2.5212 -0.3996 -0.6373 H 1 UNL1111111111 0.1599 25 H 3.9787 -1.3612 -0.8789 H 1 UNL1111111111 0.1370 26 H 2.0315 -1.6979 1.5065 H 1 UNL1111111111 0.1479 27 H 3.4665 -2.6900 1.2184 H 1 UNL1111111111 0.1335 28 H 3.4411 0.2754 1.6930 H 1 UNL1111111111 0.1601 29 H 4.9541 -0.5347 1.2737 H 1 UNL1111111111 0.1429 30 H 1.5434 -3.9326 0.3926 H 1 UNL1111111111 0.1523 31 H 2.4756 -3.4264 -1.0207 H 1 UNL1111111111 0.1445 32 H 5.5311 1.1811 -0.3081 H 1 UNL1111111111 0.1424 33 H 0.8216 -1.7737 -1.6625 H 1 UNL1111111111 0.1657 34 H -4.5522 1.8674 1.2255 H 1 UNL1111111111 0.1378 35 H -3.3267 2.0246 -0.0402 H 1 UNL1111111111 0.1538 36 H -3.5069 -0.3001 2.0022 H 1 UNL1111111111 0.1479 37 H -2.2035 -0.1128 0.8292 H 1 UNL1111111111 0.1694 38 H -2.9111 3.3895 2.1379 H 1 UNL1111111111 0.1632 39 H -2.6382 1.8553 2.9826 H 1 UNL1111111111 0.1680 40 H 4.0383 3.1116 -0.7472 H 1 UNL1111111111 0.1686 41 H -1.3894 -1.7669 -0.5925 H 1 UNL1111111111 0.1746 42 H -5.0567 -0.9720 0.3104 H 1 UNL1111111111 0.1442 43 H -4.4740 -1.0378 -2.0876 H 1 UNL1111111111 0.1670 44 H -1.3530 -3.9631 3.0067 H 1 UNL1111111111 0.1809 45 H -0.3618 2.0559 -2.9383 H 1 UNL1111111111 0.1369 46 H -0.1071 0.5132 -3.8560 H 1 UNL1111111111 0.1596 47 H 0.6132 0.8336 -1.1295 H 1 UNL1111111111 0.3281 @BOND 1 1 23 1 2 1 47 1 3 2 3 1 4 2 4 1 5 2 24 1 6 2 25 1 7 3 5 1 8 3 26 1 9 3 27 1 10 4 6 1 11 4 28 1 12 4 29 1 13 5 7 1 14 5 30 1 15 5 31 1 16 6 11 2 17 6 32 1 18 7 12 2 19 7 33 1 20 8 9 1 21 8 10 1 22 8 34 1 23 8 35 1 24 9 13 1 25 9 36 1 26 9 37 1 27 10 14 1 28 10 38 1 29 10 39 1 30 11 16 1 31 11 40 1 32 12 17 1 33 12 41 1 34 13 15 2 35 13 42 1 36 14 18 3 37 15 20 1 38 15 43 1 39 16 19 3 40 17 21 3 41 18 19 1 42 20 22 3 43 21 44 1 44 22 23 1 45 23 45 1 46 23 46 1