@MOLECULE tricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.2530 -0.0011 0.6661 C.3 1 UNL1 -0.2466 2 C 3.2573 -0.0018 0.6641 C.3 1 UNL1 -0.2464 3 C -2.8801 -1.2932 -0.0880 C.3 1 UNL1 -0.2801 4 C -2.8780 1.2956 -0.0793 C.3 1 UNL1 -0.2802 5 C 2.8778 -1.2968 -0.0819 C.3 1 UNL1 -0.2803 6 C 2.8792 1.2929 -0.0827 C.3 1 UNL1 -0.2802 7 C -1.3990 -1.5261 -0.0936 C.ar 1 UNL1 0.0109 8 C -1.3971 1.5268 -0.0862 C.ar 1 UNL1 0.0109 9 C 1.3964 -1.5243 -0.0941 C.ar 1 UNL1 0.0108 10 C 1.3983 1.5246 -0.0895 C.ar 1 UNL1 0.0109 11 C -0.6974 -1.5420 -1.2998 C.ar 1 UNL1 -0.1670 12 C -0.6969 1.5551 -1.2933 C.ar 1 UNL1 -0.1670 13 C 0.6955 -1.5404 -1.3014 C.ar 1 UNL1 -0.1664 14 C 0.6960 1.5533 -1.2956 C.ar 1 UNL1 -0.1668 15 C -0.6974 -1.6740 1.1069 C.ar 1 UNL1 -0.1673 16 C -0.6936 1.6628 1.1141 C.ar 1 UNL1 -0.1673 17 C 0.6938 -1.6728 1.1055 C.ar 1 UNL1 -0.1675 18 C 0.6974 1.6621 1.1122 C.ar 1 UNL1 -0.1673 19 H -4.3451 -0.0008 0.8498 H 1 UNL1 0.1316 20 H -2.7768 -0.0048 1.6655 H 1 UNL1 0.1438 21 H 2.7872 -0.0016 1.6663 H 1 UNL1 0.1435 22 H 4.3507 -0.0023 0.8406 H 1 UNL1 0.1317 23 H -3.2786 -1.2465 -1.1205 H 1 UNL1 0.1457 24 H -3.3929 -2.1548 0.3881 H 1 UNL1 0.1461 25 H -3.3884 2.1545 0.4044 H 1 UNL1 0.1461 26 H -3.2791 1.2573 -1.1112 H 1 UNL1 0.1457 27 H 3.3838 -2.1578 0.4029 H 1 UNL1 0.1461 28 H 3.2818 -1.2599 -1.1129 H 1 UNL1 0.1457 29 H 3.2789 1.2526 -1.1152 H 1 UNL1 0.1457 30 H 3.3896 2.1534 0.3983 H 1 UNL1 0.1462 31 H -1.2356 -1.5102 -2.2440 H 1 UNL1 0.1485 32 H -1.2358 1.5329 -2.2374 H 1 UNL1 0.1485 33 H 1.2336 -1.5070 -2.2453 H 1 UNL1 0.1486 34 H 1.2326 1.5291 -2.2408 H 1 UNL1 0.1485 35 H -1.2378 -1.7520 2.0469 H 1 UNL1 0.1487 36 H -1.2333 1.7314 2.0554 H 1 UNL1 0.1487 37 H 1.2353 -1.7504 2.0448 H 1 UNL1 0.1486 38 H 1.2398 1.7303 2.0520 H 1 UNL1 0.1487 @BOND 1 33 13 1 2 31 11 1 3 34 14 1 4 32 12 1 5 13 11 ar 6 13 9 ar 7 11 7 ar 8 14 12 ar 9 14 10 ar 10 12 8 ar 11 23 3 1 12 29 6 1 13 28 5 1 14 26 4 1 15 9 5 1 16 9 17 ar 17 7 3 1 18 7 15 ar 19 10 6 1 20 10 18 ar 21 3 24 1 22 3 1 1 23 8 4 1 24 8 16 ar 25 6 30 1 26 6 2 1 27 5 27 1 28 5 2 1 29 4 25 1 30 4 1 1 31 2 22 1 32 2 21 1 33 1 19 1 34 1 20 1 35 17 15 ar 36 17 37 1 37 15 35 1 38 18 16 ar 39 18 38 1 40 16 36 1