@MOLECULE DB04842 66 70 1 SMALL USER_CHARGES @ATOM 1 F1 10.7728 -4.6912 8.6487 F 1 noname -0.1662 2 C1 10.0539 -4.2741 7.6478 C.2 1 noname 0.0191 3 C2 10.6232 -4.1545 6.3854 C.2 1 noname -0.0083 4 C3 8.7165 -3.9481 7.8408 C.2 1 noname -0.0083 5 C4 9.8552 -3.7089 5.3160 C.2 1 noname -0.0417 6 C5 7.9485 -3.5025 6.7714 C.2 1 noname -0.0417 7 C6 8.5178 -3.3829 5.5090 C.2 1 noname -0.0554 8 C7 7.7111 -2.9148 4.3857 C.3 1 noname 0.0393 9 C8 7.6776 -3.9423 3.3490 C.2 1 noname -0.0554 10 C9 6.2869 -2.6277 4.8653 C.3 1 noname -0.0410 11 C10 8.1642 -3.6627 2.0774 C.2 1 noname -0.0417 12 C11 7.1592 -5.2002 3.6337 C.2 1 noname -0.0417 13 C12 5.4415 -2.1372 3.6882 C.3 1 noname -0.0395 14 C13 8.1324 -4.6409 1.0904 C.2 1 noname -0.0083 15 C14 7.1273 -6.1784 2.6467 C.2 1 noname -0.0083 16 C15 4.0172 -1.8501 4.1678 C.3 1 noname -0.0018 17 C16 7.6139 -5.8988 1.3750 C.2 1 noname 0.0191 18 N1 3.2094 -1.3814 3.0430 N.3 1 noname -0.3031 19 F2 7.5841 -6.8144 0.4513 F 1 noname -0.1662 20 C17 3.1750 -2.4373 1.9776 C.3 1 noname 0.0005 21 C18 1.9630 -0.7376 3.5589 C.3 1 noname 0.0005 22 C19 1.8694 -2.4562 1.1347 C.3 1 noname -0.0128 23 C20 0.6945 -1.6092 3.4036 C.3 1 noname -0.0128 24 C21 0.5583 -2.3264 1.9970 C.3 1 noname 0.1027 25 N2 -0.0160 -3.6664 2.1869 N.3 1 noname -0.1158 26 C22 -0.5452 -1.6214 1.2033 C.2 1 noname 0.0517 27 C23 -0.0236 -3.9682 3.4925 C.2 1 noname -0.0330 28 C24 -1.4027 -3.6387 1.6801 C.3 1 noname 0.0607 29 O1 -0.4108 -0.7301 0.3373 O.2 1 noname -0.2886 30 N3 -1.7927 -2.2210 1.6817 N.3 1 noname -0.0638 31 C25 0.0909 -5.2921 3.9005 C.2 1 noname -0.0656 32 C26 -0.1460 -2.9575 4.4388 C.2 1 noname -0.0656 33 C27 0.0831 -5.6051 5.2547 C.2 1 noname -0.0642 34 C28 -0.1539 -3.2705 5.7930 C.2 1 noname -0.0642 35 C29 -0.0393 -4.5944 6.2010 C.2 1 noname -0.0899 36 H1 11.6720 -4.4101 6.2340 H 1 noname 0.0653 37 H2 8.2701 -4.0419 8.8307 H 1 noname 0.0653 38 H3 10.3016 -3.6150 4.3260 H 1 noname 0.0626 39 H4 6.8997 -3.2469 6.9227 H 1 noname 0.0626 40 H5 8.1890 -2.0277 3.9701 H 1 noname 0.0402 41 H6 5.8631 -3.5809 5.1814 H 1 noname 0.0276 42 H7 6.3535 -1.7999 5.5714 H 1 noname 0.0276 43 H8 8.5708 -2.6763 1.8541 H 1 noname 0.0626 44 H9 6.7776 -5.4195 4.6309 H 1 noname 0.0626 45 H10 5.8652 -1.1840 3.3721 H 1 noname 0.0280 46 H11 5.3748 -2.9649 2.9822 H 1 noname 0.0280 47 H12 8.5140 -4.4216 0.0932 H 1 noname 0.0653 48 H13 6.7207 -7.1648 2.8699 H 1 noname 0.0653 49 H14 3.5777 -2.7978 4.4788 H 1 noname 0.0430 50 H15 4.0680 -1.0168 4.8687 H 1 noname 0.0430 51 H16 3.9802 -2.1734 1.2920 H 1 noname 0.0431 52 H17 3.2068 -3.3841 2.5169 H 1 noname 0.0431 53 H18 2.1265 -0.6182 4.6299 H 1 noname 0.0431 54 H19 1.8140 0.1395 2.9292 H 1 noname 0.0431 55 H20 1.9104 -1.5639 0.5100 H 1 noname 0.0304 56 H21 1.8320 -3.4431 0.6736 H 1 noname 0.0304 57 H22 0.8020 -2.4049 4.1408 H 1 noname 0.0304 58 H23 -0.1413 -0.9128 3.4713 H 1 noname 0.0304 59 H24 -1.3829 -3.9730 0.6428 H 1 noname 0.0607 60 H25 -2.0312 -4.1535 2.4067 H 1 noname 0.0607 61 H26 -2.6667 -1.7844 1.9380 H 1 noname 0.1324 62 H27 0.1869 -6.0847 3.1584 H 1 noname 0.0639 63 H28 -0.2358 -1.9193 4.1189 H 1 noname 0.0639 64 H29 0.1729 -6.6432 5.5747 H 1 noname 0.0623 65 H30 -0.2499 -2.4779 6.5351 H 1 noname 0.0623 66 H31 -0.0455 -4.8398 7.2630 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 8 10 1 11 9 11 2 12 9 12 1 13 10 13 1 14 11 14 1 15 12 15 2 16 13 16 1 17 14 17 2 18 15 17 1 19 16 18 1 20 17 19 1 21 18 20 1 22 18 21 1 23 20 22 1 24 21 23 1 25 22 24 1 26 23 24 1 27 24 25 1 28 24 26 1 29 25 27 1 30 25 28 1 31 26 29 2 32 26 30 1 33 27 31 2 34 27 32 1 35 28 30 1 36 31 33 1 37 32 34 2 38 33 35 2 39 34 35 1 40 3 36 1 41 4 37 1 42 5 38 1 43 6 39 1 44 8 40 1 45 10 41 1 46 10 42 1 47 11 43 1 48 12 44 1 49 13 45 1 50 13 46 1 51 14 47 1 52 15 48 1 53 16 49 1 54 16 50 1 55 20 51 1 56 20 52 1 57 21 53 1 58 21 54 1 59 22 55 1 60 22 56 1 61 23 57 1 62 23 58 1 63 28 59 1 64 28 60 1 65 30 61 1 66 31 62 1 67 32 63 1 68 33 64 1 69 34 65 1 70 35 66 1 @SUBSTRUCTURE 1 noname 1