@MOLECULE DB04908 49 52 1 SMALL USER_CHARGES @ATOM 1 F1 10.0053 -4.2012 4.3297 F 1 noname -0.1661 2 C1 9.0449 -3.6360 5.1284 C.3 1 noname 0.4161 3 F2 8.9948 -2.2856 4.8970 F 1 noname -0.1661 4 F3 9.3537 -3.8629 6.4448 F 1 noname -0.1661 5 C2 7.7468 -4.2305 4.8236 C.2 1 noname -0.0135 6 C3 6.9358 -3.6654 3.8463 C.2 1 noname -0.0340 7 C4 7.3218 -5.3616 5.5107 C.2 1 noname -0.0576 8 C5 5.6999 -4.2315 3.5561 C.2 1 noname -0.0249 9 C6 6.0859 -5.9276 5.2205 C.2 1 noname -0.0554 10 N1 4.9181 -3.6867 2.6139 N.3 1 noname -0.1327 11 C7 5.2749 -5.3625 4.2432 C.2 1 noname -0.0649 12 C8 3.4774 -3.9360 2.9536 C.3 1 noname 0.0159 13 C9 5.4817 -3.9876 1.2645 C.3 1 noname 0.0159 14 C10 2.7213 -4.8263 1.9109 C.3 1 noname 0.0115 15 C11 4.3855 -3.9331 0.1603 C.3 1 noname 0.0115 16 N2 3.1093 -4.6717 0.4732 N.3 1 noname -0.2994 17 C12 3.0665 -6.0160 -0.1597 C.3 1 noname 0.0121 18 C13 2.9385 -5.8858 -1.6951 C.3 1 noname 0.0250 19 N3 3.2937 -7.0985 -2.3327 N.3 1 noname -0.1118 20 C14 2.3084 -7.8869 -2.7987 C.2 1 noname 0.1255 21 C15 4.4915 -7.6702 -2.5800 C.2 1 noname 0.0048 22 O1 1.0879 -7.6212 -2.7501 O.2 1 noname -0.2526 23 N4 2.8369 -9.0008 -3.3230 N.3 1 noname -0.1182 24 C16 4.1650 -8.8983 -3.1991 C.2 1 noname 0.0052 25 C17 5.8642 -7.3052 -2.3542 C.2 1 noname -0.0263 26 C18 5.1462 -9.8466 -3.6168 C.2 1 noname -0.0276 27 C19 6.8632 -8.2456 -2.7796 C.2 1 noname -0.0537 28 C20 6.5038 -9.4865 -3.3921 C.2 1 noname -0.0531 29 H1 7.2691 -2.7785 3.3075 H 1 noname 0.0645 30 H2 7.9577 -5.8047 6.2771 H 1 noname 0.0628 31 H3 5.7526 -6.8146 5.7593 H 1 noname 0.0623 32 H4 4.3058 -5.8064 4.0156 H 1 noname 0.0639 33 H5 3.5014 -4.5004 3.8858 H 1 noname 0.0448 34 H6 3.0068 -2.9533 2.9235 H 1 noname 0.0448 35 H7 6.1864 -3.1826 1.0559 H 1 noname 0.0448 36 H8 5.8318 -5.0185 1.3172 H 1 noname 0.0448 37 H9 2.9832 -5.8572 2.1489 H 1 noname 0.0444 38 H10 1.6794 -4.5076 1.9420 H 1 noname 0.0444 39 H11 4.0895 -2.8871 0.0798 H 1 noname 0.0444 40 H12 4.8017 -4.4499 -0.7044 H 1 noname 0.0444 41 H13 4.0340 -6.4736 0.0467 H 1 noname 0.0444 42 H14 2.1526 -6.4869 0.2024 H 1 noname 0.0444 43 H15 1.8851 -5.7410 -1.9351 H 1 noname 0.0453 44 H16 3.6795 -5.1626 -2.0357 H 1 noname 0.0453 45 H17 2.3301 -9.7718 -3.7339 H 1 noname 0.1385 46 H18 6.1348 -6.3604 -1.8828 H 1 noname 0.0640 47 H19 4.8737 -10.7940 -4.0820 H 1 noname 0.0639 48 H20 7.9179 -8.0122 -2.6344 H 1 noname 0.0623 49 H21 7.2886 -10.1788 -3.6968 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 10 13 1 14 12 14 1 15 13 15 1 16 14 16 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 1 21 19 20 1 22 19 21 1 23 20 22 2 24 20 23 1 25 21 24 2 26 21 25 1 27 23 24 1 28 24 26 1 29 25 27 2 30 26 28 2 31 27 28 1 32 6 29 1 33 7 30 1 34 9 31 1 35 11 32 1 36 12 33 1 37 12 34 1 38 13 35 1 39 13 36 1 40 14 37 1 41 14 38 1 42 15 39 1 43 15 40 1 44 17 41 1 45 17 42 1 46 18 43 1 47 18 44 1 48 23 45 1 49 25 46 1 50 26 47 1 51 27 48 1 52 28 49 1 @SUBSTRUCTURE 1 noname 1