@MOLECULE 245479 65 69 1 SMALL USER_CHARGES @ATOM 1 F1 -1.0570 1.8511 -2.2662 F 1 noname -0.1601 2 C1 -0.8388 1.2769 -1.1194 C.2 1 noname 0.0513 3 C2 -0.9996 2.0576 0.0797 C.2 1 noname 0.0217 4 C3 -0.4538 -0.0889 -1.1100 C.2 1 noname 0.0438 5 C4 -1.3966 3.4415 0.0725 C.2 1 noname -0.0181 6 C5 -0.7544 1.4237 1.3229 C.2 1 noname 0.0023 7 C6 -0.2213 -0.6828 0.1543 C.2 1 noname 0.0379 8 C7 -2.2673 3.9395 -0.9490 C.2 1 noname 0.0231 9 C8 -0.9499 4.3906 1.0661 C.2 1 noname -0.0131 10 C9 -0.3543 0.0678 1.3731 C.2 1 noname 0.0149 11 N1 0.1296 -2.0056 0.2053 N.2 1 noname -0.2400 12 N2 -2.6158 5.2639 -0.9431 N.2 1 noname -0.2215 13 C10 -1.3208 5.7602 1.0635 C.2 1 noname 0.0092 14 C11 -0.0809 -0.6297 2.5647 C.2 1 noname 0.0298 15 C12 0.3658 -2.6999 1.3513 C.2 1 noname 0.0273 16 C13 -2.1783 6.1623 0.0056 C.2 1 noname 0.0633 17 N3 -0.0700 -0.2743 3.8658 N.3 1 noname -0.1045 18 C14 0.2502 -1.9844 2.5496 C.2 1 noname 0.0322 19 O1 -2.5728 7.4510 -0.0723 O.3 1 noname -0.2416 20 C15 0.2449 -1.3841 4.6030 C.2 1 noname 0.1303 21 C16 -0.3459 1.0560 4.3241 C.3 1 noname 0.0285 22 N4 0.4288 -2.4365 3.7927 N.3 1 noname -0.1059 23 C17 -1.6441 8.1838 -0.8578 C.3 1 noname 0.0563 24 O2 0.3460 -1.4123 5.8486 O.2 1 noname -0.2510 25 C18 0.9190 1.8788 4.5795 C.3 1 noname -0.0099 26 C19 -0.8153 1.2992 5.7602 C.3 1 noname -0.0099 27 C20 0.7469 -3.7555 4.1766 C.3 1 noname 0.0008 28 C21 -2.0912 9.6443 -0.9461 C.3 1 noname -0.0162 29 C22 0.5430 1.9511 6.0668 C.3 1 noname 0.0603 30 C23 -1.0905 10.4338 -1.7924 C.3 1 noname -0.0002 31 O3 1.3485 1.0426 6.8033 O.3 1 noname -0.3812 32 N5 -1.5178 11.8294 -1.8768 N.3 1 noname -0.3092 33 C24 1.0009 1.1094 8.1785 C.3 1 noname 0.0359 34 C25 -0.5616 12.5838 -2.6854 C.3 1 noname -0.0136 35 C26 -2.8404 11.8975 -2.4961 C.3 1 noname -0.0136 36 H1 -0.3416 -0.6569 -2.0335 H 1 noname 0.0676 37 H2 -0.8747 1.9846 2.2498 H 1 noname 0.0637 38 H3 -2.6687 3.3044 -1.7387 H 1 noname 0.0846 39 H4 -0.2926 4.0526 1.8671 H 1 noname 0.0631 40 H5 -0.9701 6.4576 1.8243 H 1 noname 0.0667 41 H6 0.6295 -3.7568 1.3122 H 1 noname 0.0857 42 H7 -1.0517 1.2301 3.5118 H 1 noname 0.0478 43 H8 -0.7055 8.1509 -0.3044 H 1 noname 0.0573 44 H9 -1.7032 7.7515 -1.8566 H 1 noname 0.0573 45 H10 1.8124 1.2718 4.4332 H 1 noname 0.0309 46 H11 0.8442 2.8603 4.1113 H 1 noname 0.0309 47 H12 -1.6165 2.0379 5.7864 H 1 noname 0.0309 48 H13 -0.9251 0.3569 6.2970 H 1 noname 0.0309 49 H14 0.7633 -3.8234 5.2643 H 1 noname 0.0404 50 H15 -0.0035 -4.4400 3.7811 H 1 noname 0.0404 51 H16 1.7269 -4.0227 3.7811 H 1 noname 0.0404 52 H17 -3.0367 9.6516 -1.4884 H 1 noname 0.0303 53 H18 -2.0391 10.0510 0.0639 H 1 noname 0.0303 54 H19 0.6418 2.8622 6.6570 H 1 noname 0.0603 55 H20 -0.1414 10.4423 -1.2565 H 1 noname 0.0431 56 H21 -1.1391 10.0430 -2.8087 H 1 noname 0.0431 57 H22 0.9001 0.1000 8.5772 H 1 noname 0.0529 58 H23 1.7807 1.6398 8.7250 H 1 noname 0.0529 59 H24 0.0550 1.6398 8.2888 H 1 noname 0.0529 60 H25 0.1223 13.1233 -2.0303 H 1 noname 0.0394 61 H26 0.0041 11.8965 -3.3145 H 1 noname 0.0394 62 H27 -1.0983 13.2939 -3.3145 H 1 noname 0.0394 63 H28 -3.6039 11.9368 -1.7191 H 1 noname 0.0394 64 H29 -2.9059 12.7920 -3.1155 H 1 noname 0.0394 65 H30 -2.9975 11.0144 -3.1155 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 29 25 1 33 26 29 1 34 28 30 1 35 29 31 1 36 30 32 1 37 31 33 1 38 32 34 1 39 32 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 29 54 1 59 30 55 1 60 30 56 1 61 33 57 1 62 33 58 1 63 33 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