@MOLECULE 245494 65 69 1 SMALL USER_CHARGES @ATOM 1 F1 -1.6177 0.7203 6.2153 F 1 noname -0.1250 2 C1 -1.0583 -0.4536 6.1748 C.2 1 noname 0.0924 3 N1 -0.7886 -1.1219 7.3430 N.2 1 noname -0.1766 4 C2 -0.7255 -1.0448 4.9045 C.2 1 noname 0.0283 5 C3 -0.1998 -2.3662 7.3785 C.2 1 noname 0.0645 6 C4 -1.0029 -0.3497 3.6393 C.2 1 noname -0.0299 7 C5 -0.1081 -2.3573 4.9919 C.2 1 noname -0.0086 8 O1 0.0284 -2.9473 8.5754 O.3 1 noname -0.2408 9 C6 0.1750 -3.0573 6.1961 C.2 1 noname 0.0007 10 C7 -0.6605 -0.9762 2.3958 C.2 1 noname -0.0044 11 C8 -1.6199 0.9537 3.5646 C.2 1 noname -0.0208 12 C9 1.3172 -2.5777 9.0431 C.3 1 noname 0.0563 13 C10 -0.9199 -0.3520 1.1515 C.2 1 noname 0.0156 14 C11 -1.9018 1.6347 2.3532 C.2 1 noname -0.0061 15 C12 1.5757 -3.2364 10.3996 C.3 1 noname -0.0162 16 C13 -1.5422 0.9523 1.1527 C.2 1 noname 0.0475 17 C14 -0.6365 -0.9225 -0.1153 C.2 1 noname 0.0300 18 C15 2.9644 -2.8381 10.9035 C.3 1 noname -0.0002 19 N2 -1.8295 1.5675 -0.0382 N.2 1 noname -0.2393 20 N3 -0.0535 -2.0723 -0.5193 N.3 1 noname -0.1045 21 C16 -0.9835 -0.2407 -1.2866 C.2 1 noname 0.0322 22 N4 3.2115 -3.4675 12.1998 N.3 1 noname -0.3092 23 C17 -1.5878 1.0345 -1.2691 C.2 1 noname 0.0274 24 C18 -0.0608 -2.0733 -1.8700 C.2 1 noname 0.1303 25 C19 0.4453 -3.0896 0.3468 C.3 1 noname 0.0279 26 N5 -0.6421 -0.9693 -2.3466 N.3 1 noname -0.1056 27 C20 4.5384 -3.0870 12.6813 C.3 1 noname -0.0136 28 C21 2.1998 -3.0241 13.1575 C.3 1 noname -0.0136 29 O2 0.4136 -2.9863 -2.5798 O.2 1 noname -0.2510 30 C22 1.8285 -2.7210 0.9739 C.3 1 noname -0.0129 31 C23 0.2521 -4.5579 -0.1243 C.3 1 noname -0.0129 32 C24 -0.8520 -0.6414 -3.7018 C.3 1 noname 0.0008 33 C25 2.8047 -3.9302 1.1276 C.3 1 noname 0.0482 34 C26 1.5750 -5.0855 -0.7619 C.3 1 noname 0.0482 35 O3 2.7896 -4.8647 0.0148 O.3 1 noname -0.3811 36 H1 0.1685 -2.8643 4.0674 H 1 noname 0.0632 37 H2 0.6411 -4.0426 6.2116 H 1 noname 0.0667 38 H3 -0.1878 -1.9584 2.3965 H 1 noname 0.0636 39 H4 -1.8926 1.4605 4.4903 H 1 noname 0.0629 40 H5 2.0194 -2.9991 8.3238 H 1 noname 0.0573 41 H6 1.2733 -1.4991 9.1943 H 1 noname 0.0573 42 H7 -2.3660 2.6209 2.3454 H 1 noname 0.0645 43 H8 0.8541 -2.8125 11.0979 H 1 noname 0.0303 44 H9 1.6002 -4.3124 10.2274 H 1 noname 0.0303 45 H10 3.6974 -3.2640 10.2184 H 1 noname 0.0431 46 H11 2.9513 -1.7641 11.0889 H 1 noname 0.0431 47 H12 -1.8571 1.5856 -2.1701 H 1 noname 0.0857 48 H13 -0.3123 -2.9995 1.1252 H 1 noname 0.0478 49 H14 4.5428 -3.0857 13.7713 H 1 noname 0.0394 50 H15 5.2762 -3.8012 12.3158 H 1 noname 0.0394 51 H16 4.7855 -2.0902 12.3158 H 1 noname 0.0394 52 H17 2.5650 -3.1842 14.1720 H 1 noname 0.0394 53 H18 1.9973 -1.9637 13.0074 H 1 noname 0.0394 54 H19 1.2828 -3.5939 13.0074 H 1 noname 0.0394 55 H20 2.3048 -2.0448 0.2640 H 1 noname 0.0306 56 H21 1.6136 -2.3837 1.9879 H 1 noname 0.0306 57 H22 0.0754 -5.1526 0.7719 H 1 noname 0.0306 58 H23 -0.4934 -4.5352 -0.9191 H 1 noname 0.0306 59 H24 -0.9427 -1.5564 -4.2871 H 1 noname 0.0404 60 H25 -1.7673 -0.0572 -3.7966 H 1 noname 0.0404 61 H26 -0.0084 -0.0572 -4.0691 H 1 noname 0.0404 62 H27 3.8171 -3.5261 1.1250 H 1 noname 0.0566 63 H28 2.4547 -4.5178 1.9763 H 1 noname 0.0566 64 H29 1.4878 -6.1708 -0.8123 H 1 noname 0.0566 65 H30 1.7359 -4.5088 -1.6727 H 1 noname 0.0566 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 2 7 5 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 9 1 12 8 12 1 13 10 13 1 14 11 14 2 15 12 15 1 16 13 16 1 17 13 17 2 18 14 16 1 19 15 18 1 20 16 19 2 21 17 20 1 22 17 21 1 23 18 22 1 24 19 23 1 25 20 24 1 26 20 25 1 27 21 26 1 28 21 23 2 29 22 27 1 30 22 28 1 31 24 29 2 32 24 26 1 33 25 30 1 34 25 31 1 35 26 32 1 36 30 33 1 37 31 34 1 38 33 35 1 39 34 35 1 40 7 36 1 41 9 37 1 42 10 38 1 43 11 39 1 44 12 40 1 45 12 41 1 46 14 42 1 47 15 43 1 48 15 44 1 49 18 45 1 50 18 46 1 51 23 47 1 52 25 48 1 53 27 49 1 54 27 50 1 55 27 51 1 56 28 52 1 57 28 53 1 58 28 54 1 59 30 55 1 60 30 56 1 61 31 57 1 62 31 58 1 63 32 59 1 64 32 60 1 65 32 61 1 66 33 62 1 67 33 63 1 68 34 64 1 69 34 65 1 @SUBSTRUCTURE 1 noname 1