@MOLECULE (11r,12r,13r)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol 45 50 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.2337 -1.2389 -0.2223 C.3 1 UNL111111111 -0.3414 2 C -3.3661 -0.6998 -1.1058 C.3 1 UNL111111111 0.1077 3 O -4.2548 -1.7403 -1.4710 O.3 1 UNL111111111 -0.5770 4 C -4.2378 0.2741 -0.2910 C.3 1 UNL111111111 0.0735 5 O -4.8464 -0.4080 0.7881 O.3 1 UNL111111111 -0.5501 6 C -3.3862 1.3753 0.3776 C.3 1 UNL111111111 0.1216 7 O -3.7116 2.6129 -0.2201 O.3 1 UNL111111111 -0.5460 8 C -1.8964 1.1585 0.3432 C.ar 1 UNL111111111 -0.0985 9 C -1.0951 2.2730 0.5276 C.ar 1 UNL111111111 -0.1302 10 C 0.2988 2.1617 0.4222 C.ar 1 UNL111111111 -0.0213 11 C 0.8780 0.8893 0.2489 C.ar 1 UNL111111111 0.0019 12 C 1.1376 3.3304 0.4525 C.ar 1 UNL111111111 -0.1414 13 C 2.4666 3.2346 0.2084 C.ar 1 UNL111111111 -0.1556 14 C 3.0712 1.9603 -0.0820 C.ar 1 UNL111111111 0.0070 15 C 2.2882 0.7888 -0.0150 C.ar 1 UNL111111111 -0.0241 16 C 4.4239 1.8750 -0.4516 C.ar 1 UNL111111111 -0.1565 17 C 4.9797 0.6470 -0.7654 C.ar 1 UNL111111111 -0.1344 18 C 4.2137 -0.5199 -0.6771 C.ar 1 UNL111111111 -0.1542 19 C 2.8821 -0.4709 -0.2736 C.ar 1 UNL111111111 -0.0071 20 C 2.0945 -1.6729 -0.0317 C.ar 1 UNL111111111 -0.0137 21 C 2.6963 -2.9414 -0.0576 C.ar 1 UNL111111111 -0.1446 22 C 2.0032 -4.0683 0.3565 C.ar 1 UNL111111111 -0.1458 23 C 0.7053 -3.9360 0.8549 C.ar 1 UNL111111111 -0.1439 24 C 0.0892 -2.6937 0.8550 C.ar 1 UNL111111111 -0.1552 25 C 0.7380 -1.5617 0.3352 C.ar 1 UNL111111111 0.0007 26 C 0.0623 -0.2714 0.2511 C.ar 1 UNL111111111 -0.0461 27 C -1.3239 -0.1136 0.1556 C.ar 1 UNL111111111 0.0277 28 H -2.6765 -1.7074 0.6876 H 1 UNL111111111 0.1843 29 H -1.6892 -2.0426 -0.7587 H 1 UNL111111111 0.1628 30 H -2.9811 -0.2305 -2.0367 H 1 UNL111111111 0.1299 31 H -3.7756 -2.4838 -1.8834 H 1 UNL111111111 0.3279 32 H -5.0486 0.7170 -0.9128 H 1 UNL111111111 0.1475 33 H -5.2425 -1.2472 0.4603 H 1 UNL111111111 0.3359 34 H -3.7384 1.5177 1.4363 H 1 UNL111111111 0.1852 35 H -3.3275 2.6861 -1.1168 H 1 UNL111111111 0.3147 36 H -1.5482 3.2479 0.7227 H 1 UNL111111111 0.1728 37 H 0.6659 4.2892 0.6647 H 1 UNL111111111 0.1577 38 H 3.1106 4.1125 0.2156 H 1 UNL111111111 0.1557 39 H 5.0259 2.7802 -0.4994 H 1 UNL111111111 0.1537 40 H 6.0212 0.5807 -1.0768 H 1 UNL111111111 0.1515 41 H 4.6813 -1.4725 -0.9237 H 1 UNL111111111 0.1554 42 H 3.7288 -3.0459 -0.3898 H 1 UNL111111111 0.1533 43 H 2.4761 -5.0471 0.3208 H 1 UNL111111111 0.1488 44 H 0.1842 -4.8053 1.2504 H 1 UNL111111111 0.1497 45 H -0.8974 -2.5952 1.3067 H 1 UNL111111111 0.1602 @BOND 1 1 2 1 2 1 28 1 3 1 29 1 4 2 4 1 5 2 30 1 6 3 2 1 7 3 31 1 8 4 5 1 9 4 32 1 10 5 33 1 11 6 7 1 12 6 4 1 13 6 34 1 14 7 35 1 15 8 27 ar 16 8 6 1 17 9 8 ar 18 9 36 1 19 10 11 ar 20 10 9 ar 21 11 26 ar 22 12 10 ar 23 12 37 1 24 13 14 ar 25 13 12 ar 26 13 38 1 27 14 15 ar 28 15 19 ar 29 15 11 ar 30 16 17 ar 31 16 14 ar 32 16 39 1 33 17 18 ar 34 17 40 1 35 18 19 ar 36 18 41 1 37 19 20 ar 38 20 21 ar 39 20 25 ar 40 21 22 ar 41 21 42 1 42 22 23 ar 43 22 43 1 44 23 44 1 45 24 23 ar 46 24 45 1 47 25 24 ar 48 26 25 ar 49 26 27 ar 50 27 1 1