@MOLECULE afusona 70 73 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.1440 0.9447 0.5000 C.3 1 UNL1 -0.1643 2 C 2.3350 -0.4456 -0.1655 C.3 1 UNL1 0.1683 3 C 1.0055 1.6721 -0.2073 C.3 1 UNL1 -0.1359 4 C 3.4961 -1.2443 0.5300 C.3 1 UNL1 -0.0041 5 C 1.0018 -1.2570 -0.3171 C.3 1 UNL1 0.1272 6 C -0.3369 0.9097 -0.0260 C.3 1 UNL1 0.0877 7 C 4.5645 0.9744 1.1314 C.3 1 UNL1 0.0821 8 C -1.3297 1.9265 -0.6670 C.3 1 UNL1 -0.2731 9 C -0.7774 3.3265 -0.2523 C.3 1 UNL1 -0.0675 10 C -3.5850 0.7703 -1.0017 C.3 1 UNL1 -0.1465 11 C -6.6350 -0.6177 0.4555 C.3 1 UNL1 -0.3515 12 C -7.6988 -1.5933 -0.0536 C.3 1 UNL1 -0.2561 13 C -8.8581 -1.6824 0.9474 C.3 1 UNL1 -0.2462 14 C 3.2067 -1.5787 2.0033 C.3 1 UNL1 -0.4442 15 C -0.7278 0.6952 1.4402 C.3 1 UNL1 -0.4735 16 C -0.8319 4.3042 -1.4220 C.3 1 UNL1 -0.4600 17 C -9.9426 -2.6322 0.4415 C.3 1 UNL1 -0.4390 18 H 0.3290 -1.3876 1.5499 H 1 UNL1 0.3250 19 O -3.1827 2.2971 0.7901 O.2 1 UNL1 -0.4066 20 O 7.0688 -2.4546 -1.2158 O.2 1 UNL1 -0.4358 21 O -5.0616 -1.4421 -1.2230 O.2 1 UNL1 -0.5083 22 C 3.4377 1.7596 0.4392 C.3 1 UNL1 -0.3219 23 C 0.6770 3.1013 0.2412 C.3 1 UNL1 -0.2954 24 C -0.2147 -0.4247 -0.7647 C.3 1 UNL1 -0.3646 25 O 0.7312 -1.9615 0.8630 O.3 1 UNL1 -0.5603 26 C -2.7461 1.7308 -0.1754 C.2 1 UNL1 0.4355 27 C -5.4479 -0.6020 -0.4548 C.2 1 UNL1 0.6023 28 O -4.7882 0.5766 -0.2712 O.3 1 UNL1 -0.3906 29 C 6.0201 -2.0938 -0.7326 C.2 1 UNL1 0.4689 30 C 3.6755 -2.5612 -0.1783 C.2 1 UNL1 -0.0790 31 C 5.8772 -0.7675 -0.0971 C.2 1 UNL1 -0.2827 32 C 4.8209 -2.9531 -0.7412 C.2 1 UNL1 -0.2865 33 F 2.7596 -0.2450 -1.4389 F 1 UNL1 -0.2192 34 F 5.7062 1.7009 1.0331 F 1 UNL1 -0.2064 35 C 4.7358 -0.3734 0.4747 C.2 1 UNL1 0.0048 36 H 1.8762 0.7860 1.5736 H 1 UNL1 0.1525 37 H 1.2397 1.7216 -1.3027 H 1 UNL1 0.1576 38 H 3.7140 2.0004 -0.6078 H 1 UNL1 0.1751 39 H 3.2959 2.7433 0.9292 H 1 UNL1 0.1602 40 H 1.1578 -2.0978 -1.0444 H 1 UNL1 0.1577 41 H 0.7428 3.2111 1.3353 H 1 UNL1 0.1415 42 H 1.3753 3.8374 -0.1845 H 1 UNL1 0.1457 43 H 4.3489 0.8450 2.2310 H 1 UNL1 0.1464 44 H 2.7914 -3.2051 -0.1701 H 1 UNL1 0.1644 45 H 2.5140 -2.4297 2.0958 H 1 UNL1 0.1783 46 H 4.1303 -1.8687 2.5234 H 1 UNL1 0.1619 47 H 2.7614 -0.7426 2.5480 H 1 UNL1 0.1429 48 H -0.1456 -0.2507 -1.8577 H 1 UNL1 0.1630 49 H -1.1249 -1.0416 -0.6190 H 1 UNL1 0.1654 50 H -1.2949 1.8286 -1.7749 H 1 UNL1 0.1621 51 H -0.9573 1.6512 1.9363 H 1 UNL1 0.1739 52 H -1.6285 0.0753 1.5314 H 1 UNL1 0.1565 53 H 0.0677 0.2282 2.0304 H 1 UNL1 0.1381 54 H -1.3862 3.7337 0.5904 H 1 UNL1 0.1569 55 H 6.7791 -0.1537 -0.1456 H 1 UNL1 0.1911 56 H 4.9423 -3.9168 -1.2343 H 1 UNL1 0.1789 57 H -0.1950 3.9849 -2.2546 H 1 UNL1 0.1485 58 H -1.8539 4.4148 -1.8041 H 1 UNL1 0.1482 59 H -0.4952 5.3030 -1.1177 H 1 UNL1 0.1500 60 H -3.8588 1.2137 -1.9782 H 1 UNL1 0.1599 61 H -3.0651 -0.1916 -1.1785 H 1 UNL1 0.1680 62 H -7.0598 0.4042 0.5652 H 1 UNL1 0.1833 63 H -6.2998 -0.9004 1.4786 H 1 UNL1 0.1813 64 H -8.0718 -1.2737 -1.0458 H 1 UNL1 0.1477 65 H -7.2539 -2.5956 -0.2177 H 1 UNL1 0.1573 66 H -8.4853 -2.0284 1.9306 H 1 UNL1 0.1355 67 H -9.2905 -0.6783 1.1207 H 1 UNL1 0.1361 68 H -10.3604 -2.2952 -0.5140 H 1 UNL1 0.1447 69 H -9.5520 -3.6451 0.2910 H 1 UNL1 0.1456 70 H -10.7715 -2.7033 1.1548 H 1 UNL1 0.1412 @BOND 1 57 16 1 2 60 10 1 3 48 24 1 4 58 16 1 5 50 8 1 6 33 2 1 7 16 59 1 8 16 9 1 9 37 3 1 10 56 32 1 11 21 27 2 12 20 29 2 13 61 10 1 14 64 12 1 15 40 5 1 16 10 28 1 17 10 26 1 18 24 49 1 19 24 5 1 20 24 6 1 21 32 29 1 22 32 30 2 23 29 31 1 24 8 9 1 25 8 26 1 26 8 6 1 27 38 22 1 28 68 17 1 29 27 28 1 30 27 11 1 31 5 2 1 32 5 25 1 33 9 23 1 34 9 54 1 35 65 12 1 36 3 6 1 37 3 23 1 38 3 1 1 39 42 23 1 40 30 44 1 41 30 4 1 42 26 19 2 43 2 1 1 44 2 4 1 45 55 31 1 46 31 35 2 47 12 11 1 48 12 13 1 49 6 15 1 50 23 41 1 51 69 17 1 52 22 1 1 53 22 39 1 54 22 7 1 55 17 13 1 56 17 70 1 57 11 62 1 58 11 63 1 59 35 4 1 60 35 7 1 61 1 36 1 62 4 14 1 63 25 18 1 64 13 67 1 65 13 66 1 66 34 7 1 67 7 43 1 68 15 52 1 69 15 51 1 70 15 53 1 71 14 45 1 72 14 46 1 73 14 47 1