@MOLECULE 245481 65 69 1 SMALL USER_CHARGES @ATOM 1 F1 0.2703 2.6305 -2.0764 F 1 noname -0.1601 2 C1 0.1352 1.8901 -1.0152 C.2 1 noname 0.0513 3 C2 0.1127 2.5356 0.2733 C.2 1 noname 0.0217 4 C3 0.0169 0.4824 -1.1824 C.2 1 noname 0.0438 5 C4 0.2243 3.9799 0.4315 C.2 1 noname -0.0181 6 C5 -0.0322 1.7065 1.4294 C.2 1 noname 0.0023 7 C6 -0.1201 -0.2872 -0.0016 C.2 1 noname 0.0379 8 C7 -0.3153 4.8862 -0.5481 C.2 1 noname 0.0231 9 C8 0.8637 4.6012 1.5695 C.2 1 noname -0.0131 10 C9 -0.1350 0.2986 1.3143 C.2 1 noname 0.0149 11 N1 -0.2525 -1.6463 -0.1372 N.2 1 noname -0.2400 12 N2 -0.1899 6.2424 -0.3635 N.2 1 noname -0.2215 13 C10 0.9876 6.0060 1.7639 C.2 1 noname 0.0092 14 C11 -0.2482 -0.6041 2.4112 C.2 1 noname 0.0298 15 C12 -0.3948 -2.5225 0.8979 C.2 1 noname 0.0273 16 C13 0.4285 6.8048 0.7310 C.2 1 noname 0.0633 17 N3 -0.2385 -0.4493 3.7590 N.3 1 noname -0.1045 18 C14 -0.3854 -1.9740 2.1920 C.2 1 noname 0.0322 19 O1 0.5054 8.1494 0.8244 O.3 1 noname -0.2416 20 C15 -0.3614 -1.6833 4.3189 C.2 1 noname 0.1303 21 C16 -0.1373 0.8194 4.4518 C.3 1 noname 0.0279 22 N4 -0.4685 -2.6229 3.3547 N.3 1 noname -0.1059 23 C17 1.7025 8.5992 0.2072 C.3 1 noname 0.0563 24 O2 -0.3736 -1.9138 5.5474 O.2 1 noname -0.2510 25 C18 1.3313 1.3801 4.4657 C.3 1 noname -0.0129 26 C19 -0.9552 0.9625 5.7721 C.3 1 noname -0.0129 27 C20 -0.6347 -4.0108 3.5398 C.3 1 noname 0.0008 28 C21 1.7895 10.1230 0.3131 C.3 1 noname -0.0162 29 C22 1.7624 2.0523 5.8089 C.3 1 noname 0.0482 30 C23 -0.0477 0.6940 7.0025 C.3 1 noname 0.0482 31 C24 3.0794 10.6076 -0.3520 C.3 1 noname -0.0002 32 O3 1.2182 1.4316 7.0221 O.3 1 noname -0.3811 33 N5 3.1626 12.0637 -0.2507 N.3 1 noname -0.3092 34 C25 4.3951 12.5268 -0.8863 C.3 1 noname -0.0136 35 C26 2.0120 12.6655 -0.9226 C.3 1 noname -0.0136 36 H1 0.0307 0.0161 -2.1675 H 1 noname 0.0676 37 H2 -0.0651 2.1581 2.4209 H 1 noname 0.0637 38 H3 -0.8278 4.5394 -1.4454 H 1 noname 0.0846 39 H4 1.2861 3.9593 2.3427 H 1 noname 0.0631 40 H5 1.4742 6.4377 2.6385 H 1 noname 0.0667 41 H6 -0.5083 -3.5891 0.7039 H 1 noname 0.0857 42 H7 -0.7269 1.4254 3.7639 H 1 noname 0.0478 43 H8 2.5126 8.1727 0.7987 H 1 noname 0.0573 44 H9 1.6017 8.3392 -0.8466 H 1 noname 0.0573 45 H10 1.9806 0.5119 4.3525 H 1 noname 0.0306 46 H11 1.3512 2.1762 3.7215 H 1 noname 0.0306 47 H12 -1.2640 2.0058 5.8370 H 1 noname 0.0306 48 H13 -1.7054 0.1717 5.7623 H 1 noname 0.0306 49 H14 -0.6615 -4.2345 4.6062 H 1 noname 0.0404 50 H15 -1.5692 -4.3296 3.0781 H 1 noname 0.0404 51 H16 0.1981 -4.5412 3.0781 H 1 noname 0.0404 52 H17 0.9631 10.5268 -0.2716 H 1 noname 0.0303 53 H18 1.8740 10.3604 1.3736 H 1 noname 0.0303 54 H19 2.8402 1.9154 5.8972 H 1 noname 0.0566 55 H20 1.3390 3.0567 5.8077 H 1 noname 0.0566 56 H21 -0.5880 1.0617 7.8748 H 1 noname 0.0566 57 H22 0.2507 -0.3530 6.9476 H 1 noname 0.0566 58 H23 3.9153 10.2181 0.2290 H 1 noname 0.0431 59 H24 3.0044 10.3845 -1.4163 H 1 noname 0.0431 60 H25 5.1196 12.7990 -0.1187 H 1 noname 0.0394 61 H26 4.8053 11.7302 -1.5069 H 1 noname 0.0394 62 H27 4.1793 13.3965 -1.5069 H 1 noname 0.0394 63 H28 1.3075 13.0339 -0.1768 H 1 noname 0.0394 64 H29 2.3477 13.4943 -1.5459 H 1 noname 0.0394 65 H30 1.5228 11.9170 -1.5459 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 17 21 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 29 54 1 59 29 55 1 60 30 56 1 61 30 57 1 62 31 58 1 63 31 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