@MOLECULE DB07509 60 62 1 SMALL USER_CHARGES @ATOM 1 F1 3.7950 -0.1232 -0.9768 F 1 noname -0.2466 2 B1 2.8732 -0.4676 0.1299 B 1 noname -0.0028 3 F2 3.7125 -0.2212 1.3250 F 1 noname -0.2466 4 N1 1.6507 0.4150 0.0597 N.2 1 noname 0.0688 5 N2 2.4246 -1.9296 -0.0135 N.3 1 noname -0.0339 6 C1 0.4657 -0.0235 -0.2132 C.2 1 noname 0.0344 7 C2 1.6273 1.6833 0.2155 C.2 1 noname 0.0399 8 C3 1.1381 -2.2680 -0.1653 C.2 1 noname -0.0918 9 C4 3.2015 -3.0190 -0.0287 C.2 1 noname -0.0914 10 C5 0.1412 -1.3297 -0.2912 C.2 1 noname 0.0090 11 C6 -0.3560 1.0172 -0.3526 C.2 1 noname 0.0215 12 C7 0.3770 2.0917 -0.0631 C.2 1 noname 0.0185 13 C8 2.7237 2.5115 0.6114 C.3 1 noname 0.0167 14 C9 1.0363 -3.6438 -0.2466 C.2 1 noname -0.0375 15 C10 2.3473 -4.1127 -0.1614 C.2 1 noname -0.0523 16 C11 4.6575 -3.0552 0.0736 C.3 1 noname 0.0118 17 C12 2.7486 2.6301 2.1366 C.3 1 noname -0.0435 18 C13 5.2692 -2.9742 -1.3264 C.3 1 noname -0.0481 19 C14 3.9217 3.5162 2.5602 C.3 1 noname -0.0434 20 C15 6.7950 -3.0121 -1.2192 C.3 1 noname -0.0529 21 C16 3.9466 3.6348 4.0854 C.3 1 noname 0.0335 22 C17 7.4068 -2.9311 -2.6193 C.3 1 noname -0.0533 23 C18 5.0661 4.4804 4.4896 C.2 1 noname 0.1348 24 C19 8.9326 -2.9690 -2.5121 C.3 1 noname -0.0533 25 O1 5.2705 4.7097 5.7012 O.2 1 noname -0.2559 26 O2 5.8804 5.0146 3.5547 O.3 1 noname -0.2189 27 C20 9.5443 -2.8880 -3.9121 C.3 1 noname -0.0535 28 C21 11.0701 -2.9258 -3.8049 C.3 1 noname -0.0561 29 C22 11.6819 -2.8449 -5.2049 C.3 1 noname -0.0654 30 H1 -0.8975 -1.6188 -0.4514 H 1 noname 0.0705 31 H2 -1.4065 0.9944 -0.6425 H 1 noname 0.0688 32 H3 0.0179 3.1208 -0.0555 H 1 noname 0.0684 33 H4 3.6217 1.9768 0.3018 H 1 noname 0.0372 34 H5 2.5085 3.4983 0.2016 H 1 noname 0.0372 35 H6 0.1234 -4.2297 -0.3542 H 1 noname 0.0641 36 H7 2.6531 -5.1585 -0.1932 H 1 noname 0.0638 37 H8 4.9428 -2.1504 0.6104 H 1 noname 0.0328 38 H9 4.9049 -4.0338 0.4849 H 1 noname 0.0328 39 H10 1.8378 3.1541 2.4264 H 1 noname 0.0272 40 H11 2.9510 1.6325 2.5265 H 1 noname 0.0272 41 H12 4.9683 -3.8792 -1.8541 H 1 noname 0.0270 42 H13 5.0063 -1.9958 -1.7286 H 1 noname 0.0270 43 H14 4.8325 2.9922 2.2704 H 1 noname 0.0272 44 H15 3.7194 4.5138 2.1703 H 1 noname 0.0272 45 H16 7.0959 -2.1070 -0.6915 H 1 noname 0.0267 46 H17 7.0580 -3.9904 -0.8170 H 1 noname 0.0267 47 H18 3.0447 4.1662 4.3890 H 1 noname 0.0372 48 H19 4.1578 2.6446 4.4892 H 1 noname 0.0372 49 H20 7.1059 -3.8361 -3.1470 H 1 noname 0.0266 50 H21 7.1438 -1.9527 -3.0215 H 1 noname 0.0266 51 H22 9.2335 -2.0639 -1.9844 H 1 noname 0.0266 52 H23 9.1956 -3.9473 -2.1099 H 1 noname 0.0266 53 H24 6.5975 5.4851 3.9861 H 1 noname 0.2213 54 H25 9.2434 -3.7930 -4.4398 H 1 noname 0.0266 55 H26 9.2814 -1.9096 -4.3143 H 1 noname 0.0266 56 H27 11.3710 -2.0208 -3.2772 H 1 noname 0.0264 57 H28 11.3331 -3.9042 -3.4027 H 1 noname 0.0264 58 H29 11.8490 -3.8519 -5.5872 H 1 noname 0.0230 59 H30 11.0008 -2.3125 -5.8688 H 1 noname 0.0230 60 H31 12.6318 -2.3125 -5.1561 H 1 noname 0.0230 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 4 6 1 6 4 7 2 7 5 8 1 8 5 9 1 9 6 10 2 10 6 11 1 11 7 12 1 12 7 13 1 13 8 14 2 14 8 10 1 15 9 15 2 16 9 16 1 17 11 12 2 18 13 17 1 19 14 15 1 20 16 18 1 21 17 19 1 22 18 20 1 23 19 21 1 24 20 22 1 25 21 23 1 26 22 24 1 27 23 25 2 28 23 26 1 29 24 27 1 30 27 28 1 31 28 29 1 32 10 30 1 33 11 31 1 34 12 32 1 35 13 33 1 36 13 34 1 37 14 35 1 38 15 36 1 39 16 37 1 40 16 38 1 41 17 39 1 42 17 40 1 43 18 41 1 44 18 42 1 45 19 43 1 46 19 44 1 47 20 45 1 48 20 46 1 49 21 47 1 50 21 48 1 51 22 49 1 52 22 50 1 53 24 51 1 54 24 52 1 55 26 53 1 56 27 54 1 57 27 55 1 58 28 56 1 59 28 57 1 60 29 58 1 61 29 59 1 62 29 60 1 @SUBSTRUCTURE 1 noname 1