@MOLECULE avarol 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9360 -2.0537 0.2612 O.3 1 UNL1111111111 -0.4347 2 O -2.5722 3.3915 0.0948 O.3 1 UNL1111111111 -0.3688 3 C 1.0462 0.0515 -0.5310 C.3 1 UNL1111111111 -0.9833 4 C 0.3315 -1.2932 -0.8342 C.3 1 UNL1111111111 0.9046 5 C 2.3014 -0.0169 0.3891 C.3 1 UNL1111111111 0.8051 6 C 0.0841 -2.0474 0.5018 C.3 1 UNL1111111111 0.0077 7 C 1.8960 -0.7511 1.6849 C.3 1 UNL1111111111 -0.5883 8 C 1.3458 -2.1439 1.3739 C.3 1 UNL1111111111 -0.5415 9 C 1.4042 0.8411 -1.8005 C.3 1 UNL1111111111 -0.3742 10 C -1.0591 -1.0020 -1.5079 C.3 1 UNL1111111111 -1.1756 11 C 2.7201 1.4142 0.6899 C.2 1 UNL1111111111 0.1236 12 C 1.1243 -2.1626 -1.8185 C.3 1 UNL1111111111 -0.9338 13 C 3.5216 -0.7029 -0.2460 C.3 1 UNL1111111111 -1.0730 14 C 1.7116 2.2998 -1.4299 C.3 1 UNL1111111111 -0.4679 15 C -0.4728 -3.4596 0.2775 C.3 1 UNL1111111111 -1.0591 16 C 2.4559 2.4310 -0.1416 C.2 1 UNL1111111111 -0.3149 17 C -1.9568 -0.1418 -0.6825 C.ar 1 UNL1111111111 0.5178 18 C 3.4827 1.6497 1.9544 C.3 1 UNL1111111111 -0.9648 19 C -2.8557 -0.6918 0.2473 C.ar 1 UNL1111111111 0.0240 20 C -1.8949 1.2470 -0.7808 C.ar 1 UNL1111111111 -0.6183 21 C -2.6430 2.0318 0.0988 C.ar 1 UNL1111111111 0.1151 22 C -3.6131 0.0921 1.1169 C.ar 1 UNL1111111111 -0.3745 23 C -3.4989 1.4779 1.0535 C.ar 1 UNL1111111111 -0.1763 24 H 0.3080 0.6665 0.0529 H 1 UNL1111111111 0.3368 25 H -0.6667 -1.4506 1.0773 H 1 UNL1111111111 0.1812 26 H 1.1330 -0.1564 2.2231 H 1 UNL1111111111 0.2056 27 H 2.7543 -0.8384 2.3752 H 1 UNL1111111111 0.2247 28 H 2.1160 -2.7613 0.8784 H 1 UNL1111111111 0.2268 29 H 1.1058 -2.6710 2.3168 H 1 UNL1111111111 0.2476 30 H 0.5852 0.8031 -2.5401 H 1 UNL1111111111 0.1862 31 H 2.2778 0.3856 -2.3013 H 1 UNL1111111111 0.2309 32 H -1.5594 -1.9707 -1.7237 H 1 UNL1111111111 0.3627 33 H -0.8853 -0.5400 -2.4993 H 1 UNL1111111111 0.3355 34 H 1.4690 -1.5850 -2.6834 H 1 UNL1111111111 0.2335 35 H 2.0069 -2.5975 -1.3373 H 1 UNL1111111111 0.2660 36 H 0.5254 -2.9976 -2.1976 H 1 UNL1111111111 0.2407 37 H 3.8409 -0.1811 -1.1549 H 1 UNL1111111111 0.2908 38 H 4.3713 -0.7124 0.4443 H 1 UNL1111111111 0.2763 39 H 3.3092 -1.7417 -0.5200 H 1 UNL1111111111 0.2951 40 H 0.7698 2.8811 -1.3630 H 1 UNL1111111111 0.2149 41 H 2.2935 2.7737 -2.2468 H 1 UNL1111111111 0.1968 42 H -1.2584 -3.4651 -0.4898 H 1 UNL1111111111 0.3242 43 H 0.3042 -4.1590 -0.0416 H 1 UNL1111111111 0.2837 44 H -0.9309 -3.8517 1.1911 H 1 UNL1111111111 0.3006 45 H 2.7734 3.4471 0.0842 H 1 UNL1111111111 0.1920 46 H 3.8530 2.6792 2.0415 H 1 UNL1111111111 0.2694 47 H 4.3582 0.9890 2.0225 H 1 UNL1111111111 0.2839 48 H 2.8557 1.4647 2.8383 H 1 UNL1111111111 0.2799 49 H -1.2462 1.7090 -1.5214 H 1 UNL1111111111 0.3013 50 H -4.2731 -0.3729 1.8418 H 1 UNL1111111111 0.2403 51 H -4.0517 2.1239 1.7307 H 1 UNL1111111111 0.2282 52 H -3.5195 -2.3826 0.9838 H 1 UNL1111111111 0.3796 53 H -1.9020 3.7281 -0.5466 H 1 UNL1111111111 0.3159 @BOND 1 1 19 1 2 1 52 1 3 2 21 1 4 2 53 1 5 3 4 1 6 3 5 1 7 3 9 1 8 3 24 1 9 4 6 1 10 4 10 1 11 4 12 1 12 5 7 1 13 5 11 1 14 5 13 1 15 6 8 1 16 6 15 1 17 6 25 1 18 7 8 1 19 7 26 1 20 7 27 1 21 8 28 1 22 8 29 1 23 9 14 1 24 9 30 1 25 9 31 1 26 10 17 1 27 10 32 1 28 10 33 1 29 11 16 2 30 11 18 1 31 12 34 1 32 12 35 1 33 12 36 1 34 13 37 1 35 13 38 1 36 13 39 1 37 14 16 1 38 14 40 1 39 14 41 1 40 15 42 1 41 15 43 1 42 15 44 1 43 16 45 1 44 17 19 ar 45 17 20 ar 46 18 46 1 47 18 47 1 48 18 48 1 49 19 22 ar 50 20 21 ar 51 20 49 1 52 21 23 ar 53 22 23 ar 54 22 50 1 55 23 51 1