@MOLECULE carmine 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5052 -0.8653 -0.6274 O.3 1 UNL1111111111 -0.4129 2 O -2.9458 -0.4069 2.1653 O.3 1 UNL1111111111 -0.5509 3 O -6.1325 0.2322 2.2733 O.3 1 UNL1111111111 -0.5650 4 O -6.8926 -1.6562 0.3024 O.3 1 UNL1111111111 -0.5529 5 O -4.7179 -2.1027 -3.1059 O.3 1 UNL1111111111 -0.5358 6 O -1.1148 -1.4427 0.3806 O.3 1 UNL1111111111 -0.3683 7 O -2.6671 2.9794 -0.3623 O.3 1 UNL1111111111 -0.4554 8 O -0.1348 3.8696 -0.4303 O.3 1 UNL1111111111 -0.4993 9 O 1.2862 -1.9377 0.1296 O.2 1 UNL1111111111 -0.4190 10 O 2.4026 3.2544 -0.4054 O.2 1 UNL1111111111 -0.4857 11 O 6.8735 0.9823 -0.1555 O.3 1 UNL1111111111 -0.4452 12 O 6.8345 -1.8927 1.3684 O.3 1 UNL1111111111 -0.5430 13 O 7.0167 -2.2404 -0.8281 O.2 1 UNL1111111111 -0.4824 14 C -3.9423 0.2891 1.4498 C.3 1 UNL1111111111 0.0736 15 C -3.4072 0.4025 0.0049 C.3 1 UNL1111111111 0.1067 16 C -5.2454 -0.5347 1.4860 C.3 1 UNL1111111111 0.0839 17 C -5.8543 -0.7230 0.0820 C.3 1 UNL1111111111 0.0304 18 C -4.8188 -1.3134 -0.8908 C.3 1 UNL1111111111 0.0356 19 C -1.9591 0.7776 -0.0274 C.ar 1 UNL1111111111 -0.2201 20 C -5.1561 -0.9861 -2.3565 C.3 1 UNL1111111111 -0.0467 21 C -0.8915 -0.1525 0.1314 C.ar 1 UNL1111111111 0.3839 22 C -1.6437 2.1077 -0.2204 C.ar 1 UNL1111111111 0.2576 23 C 0.4501 0.2484 0.0229 C.ar 1 UNL1111111111 -0.2715 24 C 0.7415 1.6168 -0.1617 C.ar 1 UNL1111111111 -0.1670 25 C -0.2872 2.5372 -0.2687 C.ar 1 UNL1111111111 0.1607 26 C 1.5277 -0.7543 0.0722 C.2 1 UNL1111111111 0.4983 27 C 2.9403 -0.2845 0.0158 C.ar 1 UNL1111111111 -0.2223 28 C 2.1346 2.0754 -0.2447 C.2 1 UNL1111111111 0.4895 29 C 3.2267 1.0753 -0.1324 C.ar 1 UNL1111111111 0.0044 30 C 3.9984 -1.2108 0.0983 C.ar 1 UNL1111111111 0.2165 31 C 4.5313 1.5477 -0.1898 C.ar 1 UNL1111111111 -0.2950 32 C 5.3206 -0.7479 0.0286 C.ar 1 UNL1111111111 -0.2545 33 C 5.5744 0.6201 -0.1072 C.ar 1 UNL1111111111 0.3456 34 C 3.7516 -2.6653 0.2493 C.3 1 UNL1111111111 -0.4682 35 C 6.4599 -1.6827 0.0790 C.2 1 UNL1111111111 0.6694 36 H -4.0204 1.1420 -0.5715 H 1 UNL1111111111 0.1525 37 H -4.0920 1.2984 1.9010 H 1 UNL1111111111 0.1600 38 H -5.0931 -1.5224 1.9816 H 1 UNL1111111111 0.1603 39 H -6.3006 0.2267 -0.2865 H 1 UNL1111111111 0.1375 40 H -4.7209 -2.4241 -0.7572 H 1 UNL1111111111 0.1893 41 H -4.6696 -0.0532 -2.6876 H 1 UNL1111111111 0.1313 42 H -6.2457 -0.9215 -2.5358 H 1 UNL1111111111 0.1263 43 H -3.1227 -0.3718 3.1290 H 1 UNL1111111111 0.3309 44 H -7.0250 -0.1812 2.2759 H 1 UNL1111111111 0.3388 45 H -7.3953 -1.8330 -0.5177 H 1 UNL1111111111 0.3269 46 H -4.1400 -1.8290 -3.8442 H 1 UNL1111111111 0.3213 47 H -2.1001 -1.6414 0.4482 H 1 UNL1111111111 0.3558 48 H -2.3287 3.9065 -0.5154 H 1 UNL1111111111 0.3582 49 H 4.7301 2.6137 -0.2987 H 1 UNL1111111111 0.1903 50 H 0.8526 4.1015 -0.4889 H 1 UNL1111111111 0.3869 51 H 3.1723 -3.0661 -0.6062 H 1 UNL1111111111 0.1961 52 H 4.6588 -3.2757 0.3357 H 1 UNL1111111111 0.1594 53 H 3.1333 -2.8821 1.1413 H 1 UNL1111111111 0.1948 54 H 6.9890 1.9616 -0.2721 H 1 UNL1111111111 0.3387 55 H 7.6104 -2.4990 1.4597 H 1 UNL1111111111 0.3496 @BOND 1 1 15 1 2 1 18 1 3 2 14 1 4 2 43 1 5 3 16 1 6 3 44 1 7 4 17 1 8 4 45 1 9 5 20 1 10 5 46 1 11 6 21 1 12 6 47 1 13 7 22 1 14 7 48 1 15 8 25 1 16 8 50 1 17 9 26 2 18 10 28 2 19 11 33 1 20 11 54 1 21 12 35 1 22 12 55 1 23 13 35 2 24 14 15 1 25 14 16 1 26 14 37 1 27 15 19 1 28 15 36 1 29 16 17 1 30 16 38 1 31 17 18 1 32 17 39 1 33 18 20 1 34 18 40 1 35 19 21 ar 36 19 22 ar 37 20 41 1 38 20 42 1 39 21 23 ar 40 22 25 ar 41 23 24 ar 42 23 26 1 43 24 25 ar 44 24 28 1 45 26 27 1 46 27 29 ar 47 27 30 ar 48 28 29 1 49 29 31 ar 50 30 32 ar 51 30 34 1 52 31 33 ar 53 31 49 1 54 32 33 ar 55 32 35 1 56 34 51 1 57 34 52 1 58 34 53 1