@MOLECULE 245484 65 69 1 SMALL USER_CHARGES @ATOM 1 F1 -3.5296 5.7596 2.4104 F 1 noname -0.1601 2 C1 -3.0373 4.5558 2.3786 C.2 1 noname 0.0513 3 C2 -2.2905 4.0849 3.5267 C.2 1 noname 0.0217 4 C3 -3.2563 3.7691 1.2257 C.2 1 noname 0.0438 5 C4 -2.1156 4.9238 4.6928 C.2 1 noname -0.0181 6 C5 -1.7131 2.7736 3.5149 C.2 1 noname 0.0024 7 C6 -2.6565 2.4900 1.2617 C.2 1 noname 0.0379 8 C7 -3.1185 5.8732 5.0862 C.2 1 noname 0.0231 9 C8 -0.9392 4.8633 5.5205 C.2 1 noname -0.0131 10 C9 -1.8860 1.9870 2.3647 C.2 1 noname 0.0151 11 N1 -2.8464 1.6878 0.1786 N.2 1 noname -0.2398 12 N2 -2.8992 6.6572 6.1867 N.2 1 noname -0.2215 13 C10 -0.7145 5.6482 6.6743 C.2 1 noname 0.0092 14 C11 -1.3477 0.7023 2.2641 C.2 1 noname 0.0299 15 C12 -2.3651 0.4224 0.0627 C.2 1 noname 0.0274 16 C13 -1.7658 6.5616 6.9578 C.2 1 noname 0.0633 17 N3 -0.5746 0.0014 3.1060 N.3 1 noname -0.1035 18 C14 -1.6107 -0.0724 1.1421 C.2 1 noname 0.0324 19 O1 -1.6457 7.3708 8.0317 O.3 1 noname -0.2416 20 C15 -0.4001 -1.2029 2.5335 C.2 1 noname 0.1307 21 C16 -0.0511 0.4380 4.3403 C.3 1 noname 0.0470 22 N4 -1.0322 -1.2604 1.3413 N.3 1 noname -0.1058 23 C17 -1.0065 8.5785 7.6452 C.3 1 noname 0.0563 24 O2 0.2569 -2.1403 3.0357 O.2 1 noname -0.2509 25 C18 1.3160 1.0866 4.1137 C.3 1 noname 0.0632 26 C19 0.1018 -0.7586 5.2814 C.3 1 noname -0.0322 27 C20 -1.0739 -2.3676 0.4693 C.3 1 noname 0.0008 28 C21 -0.8704 9.4956 8.8623 C.3 1 noname -0.0162 29 O3 1.8432 1.5264 5.3567 O.3 1 noname -0.3796 30 C22 0.6699 -0.2848 6.6207 C.3 1 noname -0.0280 31 C23 -0.1817 10.7969 8.4458 C.3 1 noname -0.0002 32 C24 1.7408 0.7476 6.5422 C.3 1 noname 0.0468 33 N5 -0.0516 11.6732 9.6088 N.3 1 noname -0.3092 34 C25 0.6065 12.9166 9.2109 C.3 1 noname -0.0136 35 C26 -1.3787 11.9737 10.1435 C.3 1 noname -0.0136 36 H1 -3.8414 4.1210 0.3761 H 1 noname 0.0676 37 H2 -1.1534 2.3821 4.3644 H 1 noname 0.0637 38 H3 -4.0556 6.0000 4.5441 H 1 noname 0.0846 39 H4 -0.1499 4.1620 5.2500 H 1 noname 0.0631 40 H5 0.1829 5.5578 7.2864 H 1 noname 0.0667 41 H6 -2.5707 -0.1577 -0.8370 H 1 noname 0.0857 42 H7 -0.7780 1.1563 4.7195 H 1 noname 0.0500 43 H8 -0.0051 8.2886 7.3271 H 1 noname 0.0573 44 H9 -1.6865 9.0541 6.9384 H 1 noname 0.0573 45 H10 2.0018 0.3152 3.7635 H 1 noname 0.0583 46 H11 1.1669 1.9915 3.5246 H 1 noname 0.0583 47 H12 -0.9024 -1.1329 5.4803 H 1 noname 0.0284 48 H13 0.8500 -1.4149 4.8368 H 1 noname 0.0284 49 H14 -1.1086 -3.2880 1.0522 H 1 noname 0.0404 50 H15 -1.9621 -2.3019 -0.1592 H 1 noname 0.0404 51 H16 -0.1834 -2.3689 -0.1592 H 1 noname 0.0404 52 H17 -1.8815 9.7599 9.1718 H 1 noname 0.0303 53 H18 -0.2001 8.9944 9.5605 H 1 noname 0.0303 54 H19 -0.1542 0.2060 7.1386 H 1 noname 0.0290 55 H20 1.1523 -1.1549 7.0659 H 1 noname 0.0290 56 H21 0.8352 10.5481 8.1421 H 1 noname 0.0431 57 H22 -0.8463 11.3136 7.7534 H 1 noname 0.0431 58 H23 2.6834 0.2013 6.5775 H 1 noname 0.0566 59 H24 1.5056 1.4792 7.3153 H 1 noname 0.0566 60 H25 0.9009 13.4728 10.1008 H 1 noname 0.0394 61 H26 1.4912 12.6857 8.6175 H 1 noname 0.0394 62 H27 -0.0820 13.5183 8.6175 H 1 noname 0.0394 63 H28 -1.3419 11.9654 11.2328 H 1 noname 0.0394 64 H29 -1.6953 12.9579 9.7981 H 1 noname 0.0394 65 H30 -2.0883 11.2218 9.7981 H 1 noname 0.0394 @BOND 1 1 2 1 2 2 3 1 3 2 4 2 4 3 5 1 5 3 6 2 6 4 7 1 7 5 8 2 8 5 9 1 9 6 10 1 10 7 11 2 11 7 10 1 12 8 12 1 13 9 13 2 14 10 14 2 15 11 15 1 16 12 16 2 17 13 16 1 18 14 17 1 19 14 18 1 20 15 18 2 21 16 19 1 22 17 20 1 23 21 17 1 24 18 22 1 25 19 23 1 26 20 24 2 27 20 22 1 28 21 25 1 29 21 26 1 30 22 27 1 31 23 28 1 32 25 29 1 33 26 30 1 34 28 31 1 35 29 32 1 36 30 32 1 37 31 33 1 38 33 34 1 39 33 35 1 40 4 36 1 41 6 37 1 42 8 38 1 43 9 39 1 44 13 40 1 45 15 41 1 46 21 42 1 47 23 43 1 48 23 44 1 49 25 45 1 50 25 46 1 51 26 47 1 52 26 48 1 53 27 49 1 54 27 50 1 55 27 51 1 56 28 52 1 57 28 53 1 58 30 54 1 59 30 55 1 60 31 56 1 61 31 57 1 62 32 58 1 63 32 59 1 64 34 60 1 65 34 61 1 66 34 62 1 67 35 63 1 68 35 64 1 69 35 65 1 @SUBSTRUCTURE 1 noname 1