@MOLECULE 178421 64 68 1 SMALL USER_CHARGES @ATOM 1 F1 2.3590 4.0149 6.2854 F 1 noname -0.1580 2 C1 2.9394 3.3181 5.3525 C.2 1 noname 0.0539 3 C2 3.6156 2.1481 5.6778 C.2 1 noname 0.0417 4 C3 2.8833 3.7438 4.0305 C.2 1 noname 0.0296 5 N1 3.6697 1.7377 6.9523 N.3 1 noname -0.1228 6 C4 4.2357 1.4037 4.6811 C.2 1 noname -0.0114 7 C5 3.5035 2.9994 3.0337 C.2 1 noname -0.0140 8 C6 4.7262 1.0370 7.3863 C.2 1 noname 0.0391 9 C7 4.1796 1.8294 3.3590 C.2 1 noname -0.0241 10 C8 3.4474 3.4251 1.7117 C.2 1 noname 0.0740 11 O1 4.7767 0.6542 8.5752 O.2 1 noname -0.2746 12 N2 5.7287 0.7467 6.5458 N.3 1 noname -0.0605 13 N3 2.3829 4.1351 1.2609 N.2 1 noname -0.2344 14 C9 4.4927 3.1268 0.8206 C.2 1 noname 0.0432 15 C10 6.8404 0.0095 7.0025 C.3 1 noname -0.0076 16 C11 2.2730 4.5614 -0.0319 C.2 1 noname 0.1043 17 C12 5.6413 2.3758 1.3559 C.2 1 noname 0.0385 18 C13 4.3758 3.5697 -0.5415 C.2 1 noname 0.1078 19 N4 3.2658 4.2780 -0.9136 N.2 1 noname -0.2056 20 N5 1.1714 5.2971 -0.3925 N.3 1 noname -0.0507 21 O2 5.5224 1.3128 2.0028 O.2 1 noname -0.2883 22 N6 6.9577 3.0034 1.0533 N.3 1 noname -0.0608 23 O3 5.2944 3.3017 -1.5395 O.3 1 noname -0.2253 24 C14 0.9542 6.6248 0.0932 C.3 1 noname 0.0433 25 C15 0.1728 4.9671 -1.3781 C.3 1 noname 0.0328 26 C16 7.4177 2.8975 -0.3628 C.3 1 noname 0.0353 27 C17 7.7214 3.6566 2.0424 C.3 1 noname 0.0034 28 C18 6.6230 3.8264 -1.3110 C.3 1 noname 0.0843 29 C19 -0.3094 6.7200 0.9829 C.3 1 noname 0.0633 30 C20 0.5282 7.3342 -1.1829 C.3 1 noname -0.0070 31 C21 -0.6025 6.3189 -1.2800 C.3 1 noname 0.0725 32 C22 7.3341 5.1359 2.0916 C.3 1 noname -0.0519 33 C23 7.3613 3.9447 -2.6459 C.3 1 noname -0.0342 34 C24 6.4672 5.1751 -0.6056 C.3 1 noname -0.0342 35 O4 -1.3156 6.4943 -0.0286 O.3 1 noname -0.3750 36 H1 2.3531 4.6613 3.7754 H 1 noname 0.0660 37 H2 2.9141 1.9565 7.5857 H 1 noname 0.1386 38 H3 4.7660 0.4862 4.9362 H 1 noname 0.0640 39 H4 4.6659 1.2456 2.5774 H 1 noname 0.0630 40 H5 5.6485 1.0747 5.5939 H 1 noname 0.1320 41 H6 6.8495 0.0034 8.0925 H 1 noname 0.0397 42 H7 6.7737 -1.0142 6.6341 H 1 noname 0.0397 43 H8 7.7575 0.4692 6.6341 H 1 noname 0.0397 44 H9 1.8511 6.9434 0.6244 H 1 noname 0.0497 45 H10 0.6605 4.8753 -2.3485 H 1 noname 0.0462 46 H11 -0.4357 4.1483 -0.9943 H 1 noname 0.0462 47 H12 8.4475 3.2545 -0.3618 H 1 noname 0.0465 48 H13 7.1959 1.8741 -0.6651 H 1 noname 0.0465 49 H14 7.4262 3.1965 2.9854 H 1 noname 0.0433 50 H15 8.7545 3.5870 1.7018 H 1 noname 0.0433 51 H16 -0.3368 5.8811 1.6784 H 1 noname 0.0583 52 H17 -0.4262 7.7386 1.3528 H 1 noname 0.0583 53 H18 0.1455 8.3325 -0.9705 H 1 noname 0.0310 54 H19 1.2592 7.1886 -1.9782 H 1 noname 0.0310 55 H20 -1.3517 6.4201 -2.0652 H 1 noname 0.0617 56 H21 7.2505 5.4552 3.1304 H 1 noname 0.0243 57 H22 8.0989 5.7286 1.5897 H 1 noname 0.0243 58 H23 6.3770 5.2778 1.5897 H 1 noname 0.0243 59 H24 7.5750 2.9482 -3.0324 H 1 noname 0.0260 60 H25 6.7385 4.4851 -3.3588 H 1 noname 0.0260 61 H26 8.2962 4.4851 -2.4974 H 1 noname 0.0260 62 H27 6.4846 5.0247 0.4739 H 1 noname 0.0260 63 H28 7.2871 5.8329 -0.8940 H 1 noname 0.0260 64 H29 5.5189 5.6286 -0.8940 H 1 noname 0.0260 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 8 11 2 12 8 12 1 13 10 13 2 14 10 14 1 15 12 15 1 16 13 16 1 17 14 17 1 18 14 18 2 19 16 19 2 20 16 20 1 21 17 21 2 22 17 22 1 23 18 23 1 24 18 19 1 25 24 20 1 26 20 25 1 27 22 26 1 28 22 27 1 29 23 28 1 30 24 29 1 31 24 30 1 32 31 25 1 33 26 28 1 34 27 32 1 35 28 33 1 36 28 34 1 37 29 35 1 38 30 31 1 39 31 35 1 40 4 36 1 41 5 37 1 42 6 38 1 43 9 39 1 44 12 40 1 45 15 41 1 46 15 42 1 47 15 43 1 48 24 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 29 51 1 56 29 52 1 57 30 53 1 58 30 54 1 59 31 55 1 60 32 56 1 61 32 57 1 62 32 58 1 63 33 59 1 64 33 60 1 65 33 61 1 66 34 62 1 67 34 63 1 68 34 64 1 @SUBSTRUCTURE 1 noname 1