@MOLECULE 27797 59 63 1 SMALL USER_CHARGES @ATOM 1 F1 -1.0704 4.2634 -1.2115 F 1 noname -0.1571 2 C1 -0.4014 3.1476 -1.2000 C.2 1 noname 0.0553 3 C2 -1.0367 1.9234 -0.8204 C.2 1 noname 0.0337 4 C3 0.9806 3.1255 -1.5666 C.2 1 noname -0.0192 5 C4 -0.2866 0.7007 -0.7926 C.2 1 noname 0.0212 6 C5 -2.3838 1.9185 -0.4776 C.2 1 noname 0.0253 7 C6 1.7467 1.9189 -1.5656 C.2 1 noname -0.0342 8 N1 -0.9496 -0.4418 -0.3962 N.3 1 noname 0.0167 9 C7 1.1020 0.6971 -1.1762 C.2 1 noname -0.0484 10 O1 -3.1633 2.7479 -0.9944 O.2 1 noname -0.2930 11 N2 -2.8468 1.0247 0.4069 N.3 1 noname -0.0844 12 C8 -0.3444 -1.6507 -0.2041 C.2 1 noname 0.0396 13 N3 0.6960 -1.7469 0.6687 N.2 1 noname -0.2667 14 C9 -0.5587 -2.7367 -1.0842 C.2 1 noname -0.0557 15 C10 1.6061 -2.7569 0.6123 C.2 1 noname 0.0797 16 C11 0.3566 -3.7869 -1.0879 C.2 1 noname 0.0844 17 C12 -1.5179 -3.0015 -2.0492 C.2 1 noname -0.0345 18 N4 1.4431 -3.7788 -0.2737 N.2 1 noname -0.2574 19 N5 2.8188 -2.5614 1.2084 N.3 1 noname 0.0405 20 N6 -0.0036 -4.6765 -2.0279 N.3 1 noname -0.0098 21 C13 -1.1343 -4.2236 -2.6077 C.2 1 noname -0.1073 22 C14 3.8995 -2.0094 0.5552 C.2 1 noname 0.0066 23 C15 5.1385 -1.8679 1.2611 C.2 1 noname 0.0035 24 C16 3.7797 -1.5634 -0.7980 C.2 1 noname -0.0176 25 O2 5.2300 -2.2963 2.5380 O.3 1 noname -0.2740 26 C17 6.2799 -1.2787 0.6310 C.2 1 noname -0.0186 27 C18 4.8973 -0.9538 -1.4052 C.2 1 noname -0.0276 28 C19 5.6465 -3.6538 2.5531 C.3 1 noname 0.0424 29 C20 6.1033 -0.8269 -0.7109 C.2 1 noname -0.0368 30 N7 4.9159 -0.3986 -2.6176 N.3 1 noname -0.1297 31 C21 7.0467 -0.1327 -1.5977 C.3 1 noname -0.0125 32 C22 3.9044 -0.4220 -3.4961 C.2 1 noname 0.1402 33 C23 6.1693 0.2181 -2.8308 C.3 1 noname 0.0150 34 O3 4.0303 0.1328 -4.6091 O.2 1 noname -0.2695 35 C24 2.6552 -1.0955 -3.1533 C.3 1 noname 0.0680 36 N8 2.4005 -2.1681 -4.1135 N.3 1 noname -0.3229 37 H1 1.4653 4.0579 -1.8560 H 1 noname 0.0653 38 H2 2.7975 1.9302 -1.8548 H 1 noname 0.0624 39 H3 -1.9455 -0.3897 -0.2357 H 1 noname 0.1357 40 H4 1.6676 -0.2347 -1.1718 H 1 noname 0.0639 41 H5 -3.7980 1.0902 0.7402 H 1 noname 0.1274 42 H6 -2.2447 0.2855 0.7402 H 1 noname 0.1274 43 H7 -2.3796 -2.3872 -2.3102 H 1 noname 0.0644 44 H8 2.9210 -2.8371 2.1746 H 1 noname 0.1374 45 H9 0.4861 -5.5297 -2.2568 H 1 noname 0.1537 46 H10 -1.6551 -4.7598 -3.4011 H 1 noname 0.0789 47 H11 2.8521 -1.6862 -1.3573 H 1 noname 0.0657 48 H12 7.2350 -1.1792 1.1467 H 1 noname 0.0654 49 H13 5.7498 -3.9907 3.5846 H 1 noname 0.0535 50 H14 4.9038 -4.2674 2.0432 H 1 noname 0.0535 51 H15 6.6055 -3.7454 2.0432 H 1 noname 0.0535 52 H16 7.3420 0.7903 -1.0987 H 1 noname 0.0330 53 H17 7.8043 -0.8572 -1.8965 H 1 noname 0.0330 54 H18 6.5917 -0.2624 -3.7132 H 1 noname 0.0443 55 H19 5.9770 1.2910 -2.8338 H 1 noname 0.0443 56 H20 2.8097 -1.5701 -2.1844 H 1 noname 0.0522 57 H21 1.8581 -0.3629 -3.2805 H 1 noname 0.0522 58 H22 1.4614 -2.3366 -4.4452 H 1 noname 0.1188 59 H23 3.1635 -2.7407 -4.4452 H 1 noname 0.1188 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 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 12 13 2 14 12 14 1 15 13 15 1 16 14 16 2 17 14 17 1 18 15 18 2 19 15 19 1 20 16 20 1 21 16 18 1 22 17 21 2 23 19 22 1 24 20 21 1 25 22 23 2 26 22 24 1 27 23 25 1 28 23 26 1 29 24 27 2 30 25 28 1 31 26 29 2 32 27 30 1 33 27 29 1 34 29 31 1 35 30 32 1 36 30 33 1 37 31 33 1 38 32 34 2 39 32 35 1 40 35 36 1 41 4 37 1 42 7 38 1 43 8 39 1 44 9 40 1 45 11 41 1 46 11 42 1 47 17 43 1 48 19 44 1 49 20 45 1 50 21 46 1 51 24 47 1 52 26 48 1 53 28 49 1 54 28 50 1 55 28 51 1 56 31 52 1 57 31 53 1 58 33 54 1 59 33 55 1 60 35 56 1 61 35 57 1 62 36 58 1 63 36 59 1 @SUBSTRUCTURE 1 noname 1