@MOLECULE avobenzone 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4377 -0.4766 1.1131 O.2 1 UNL1111111111 -0.4217 2 O 1.6872 2.6584 0.2241 O.2 1 UNL1111111111 -0.4494 3 O 6.5352 -1.3472 -0.3326 O.3 1 UNL1111111111 -0.3141 4 C -5.9582 -0.3832 -0.0594 C.3 1 UNL1111111111 0.1009 5 C -4.4531 -0.2194 0.0326 C.ar 1 UNL1111111111 0.0298 6 C -6.6983 0.9548 -0.2227 C.3 1 UNL1111111111 -0.4629 7 C -6.4594 -1.0578 1.2301 C.3 1 UNL1111111111 -0.4581 8 C -6.2830 -1.2647 -1.2792 C.3 1 UNL1111111111 -0.4599 9 C -3.6501 -1.3590 0.1748 C.ar 1 UNL1111111111 -0.1946 10 C -3.8391 1.0342 -0.0151 C.ar 1 UNL1111111111 -0.1934 11 C -1.6652 0.0095 0.1783 C.ar 1 UNL1111111111 -0.1670 12 C -2.2668 -1.2476 0.2554 C.ar 1 UNL1111111111 -0.0891 13 C -2.4529 1.1510 0.0553 C.ar 1 UNL1111111111 -0.1040 14 C -0.1885 0.0995 0.2605 C.2 1 UNL1111111111 0.4918 15 C 0.4997 0.9081 -0.8166 C.3 1 UNL1111111111 -0.4958 16 C 1.7513 1.5513 -0.2524 C.2 1 UNL1111111111 0.5132 17 C 3.0138 0.7881 -0.2790 C.ar 1 UNL1111111111 -0.2206 18 C 3.3632 -0.0379 -1.3531 C.ar 1 UNL1111111111 -0.0408 19 C 3.8745 0.9188 0.8134 C.ar 1 UNL1111111111 -0.0004 20 C 4.5595 -0.7359 -1.3374 C.ar 1 UNL1111111111 -0.2752 21 C 5.0768 0.2184 0.8563 C.ar 1 UNL1111111111 -0.3218 22 C 5.4062 -0.6047 -0.2217 C.ar 1 UNL1111111111 0.2862 23 C 7.4547 -1.3051 0.7510 C.3 1 UNL1111111111 -0.2030 24 H -6.3924 1.4777 -1.1352 H 1 UNL1111111111 0.1474 25 H -6.5239 1.6199 0.6304 H 1 UNL1111111111 0.1498 26 H -7.7811 0.7965 -0.2903 H 1 UNL1111111111 0.1503 27 H -6.1850 -0.4702 2.1141 H 1 UNL1111111111 0.1523 28 H -6.0366 -2.0595 1.3582 H 1 UNL1111111111 0.1477 29 H -7.5494 -1.1614 1.2254 H 1 UNL1111111111 0.1489 30 H -5.8554 -2.2679 -1.1841 H 1 UNL1111111111 0.1471 31 H -7.3646 -1.3818 -1.4054 H 1 UNL1111111111 0.1497 32 H -5.8863 -0.8241 -2.2006 H 1 UNL1111111111 0.1489 33 H -4.1101 -2.3445 0.2284 H 1 UNL1111111111 0.1563 34 H -4.4341 1.9412 -0.1068 H 1 UNL1111111111 0.1597 35 H -1.6500 -2.1384 0.3860 H 1 UNL1111111111 0.1633 36 H -1.9929 2.1401 0.0288 H 1 UNL1111111111 0.1600 37 H 0.7247 0.2406 -1.6727 H 1 UNL1111111111 0.1883 38 H -0.1699 1.6951 -1.2230 H 1 UNL1111111111 0.1914 39 H 2.7009 -0.1307 -2.2146 H 1 UNL1111111111 0.1489 40 H 3.5957 1.5766 1.6426 H 1 UNL1111111111 0.1683 41 H 4.8533 -1.3805 -2.1611 H 1 UNL1111111111 0.1737 42 H 5.7314 0.3198 1.7146 H 1 UNL1111111111 0.1681 43 H 6.9937 -1.6812 1.6698 H 1 UNL1111111111 0.1385 44 H 7.8545 -0.2951 0.8844 H 1 UNL1111111111 0.1367 45 H 8.2443 -1.9890 0.4101 H 1 UNL1111111111 0.1542 @BOND 1 1 14 2 2 2 16 2 3 3 22 1 4 3 23 1 5 4 5 1 6 4 6 1 7 4 7 1 8 4 8 1 9 5 9 ar 10 5 10 ar 11 6 24 1 12 6 25 1 13 6 26 1 14 7 27 1 15 7 28 1 16 7 29 1 17 8 30 1 18 8 31 1 19 8 32 1 20 9 12 ar 21 9 33 1 22 10 13 ar 23 10 34 1 24 11 12 ar 25 11 13 ar 26 11 14 1 27 12 35 1 28 13 36 1 29 14 15 1 30 15 16 1 31 15 37 1 32 15 38 1 33 16 17 1 34 17 18 ar 35 17 19 ar 36 18 20 ar 37 18 39 1 38 19 21 ar 39 19 40 1 40 20 22 ar 41 20 41 1 42 21 22 ar 43 21 42 1 44 23 43 1 45 23 44 1 46 23 45 1