@MOLECULE 178262 67 71 1 SMALL USER_CHARGES @ATOM 1 F1 0.6249 2.7887 -5.3315 F 1 noname -0.1591 2 C1 1.4741 2.1719 -6.1002 C.2 1 noname 0.0565 3 C2 2.7629 1.9157 -5.6470 C.2 1 noname 0.0208 4 C3 1.0926 1.7691 -7.3747 C.2 1 noname 0.0242 5 C4 3.1444 2.3185 -4.3725 C.2 1 noname 0.0761 6 C5 3.6703 1.2566 -6.4683 C.2 1 noname -0.0089 7 C6 1.9999 1.1100 -8.1959 C.2 1 noname 0.0049 8 N1 2.2493 2.3966 -3.3568 N.2 1 noname -0.2294 9 C7 4.4659 2.6606 -4.0811 C.2 1 noname 0.0482 10 C8 3.2888 0.8538 -7.7427 C.2 1 noname -0.0304 11 N2 1.6322 0.7217 -9.4246 N.3 1 noname -0.1331 12 C9 2.5565 2.7859 -2.0828 C.2 1 noname 0.1052 13 C10 5.3956 2.5816 -5.2188 C.2 1 noname 0.0393 14 C11 4.8426 3.0189 -2.7640 C.2 1 noname 0.1090 15 C12 0.7081 1.4193 -10.0992 C.2 1 noname 0.0376 16 N3 3.8675 3.0649 -1.7984 N.2 1 noname -0.2012 17 N4 1.5232 2.8919 -1.1544 N.3 1 noname -0.0526 18 O1 5.5501 1.5665 -5.9316 O.2 1 noname -0.2883 19 N5 6.1200 3.8459 -5.4121 N.3 1 noname -0.0608 20 O2 6.1586 3.2517 -2.3499 O.3 1 noname -0.2253 21 O3 0.3650 1.0570 -11.2453 O.2 1 noname -0.2748 22 N6 0.1517 2.5051 -9.5451 N.3 1 noname -0.0607 23 C13 0.2257 3.3960 -1.6248 C.3 1 noname 0.0325 24 C14 1.7372 2.4595 0.2350 C.3 1 noname 0.0325 25 C15 7.3377 3.7180 -4.6097 C.3 1 noname 0.0353 26 C16 5.7264 4.9461 -6.2012 C.3 1 noname 0.0034 27 C17 7.0573 4.1013 -3.1224 C.3 1 noname 0.0843 28 C18 -0.8206 3.2391 -10.2549 C.3 1 noname -0.0076 29 C19 -0.7151 3.8747 -0.4550 C.3 1 noname 0.0713 30 C20 0.6431 3.0448 1.2154 C.3 1 noname 0.0713 31 C21 6.2716 4.7767 -7.6207 C.3 1 noname -0.0519 32 C22 8.3842 4.2520 -2.3757 C.3 1 noname -0.0342 33 C23 6.3394 5.4501 -3.2011 C.3 1 noname -0.0342 34 O4 0.1164 4.2756 0.6590 O.3 1 noname -0.3721 35 C24 -1.5412 2.7347 0.1679 C.3 1 noname -0.0229 36 C25 -0.6355 2.1872 1.2917 C.3 1 noname -0.0229 37 H1 0.0819 1.9700 -7.7300 H 1 noname 0.0670 38 H2 4.6809 1.0557 -6.1129 H 1 noname 0.0631 39 H3 4.0003 0.3370 -8.3868 H 1 noname 0.0639 40 H4 2.0515 -0.0967 -9.8422 H 1 noname 0.1384 41 H5 0.4571 2.7634 -8.6176 H 1 noname 0.1320 42 H6 0.4713 4.2739 -2.2224 H 1 noname 0.0462 43 H7 -0.2516 2.5347 -2.0922 H 1 noname 0.0462 44 H8 1.6130 1.3768 0.2131 H 1 noname 0.0462 45 H9 2.6968 2.8923 0.5178 H 1 noname 0.0462 46 H10 7.5915 2.6583 -4.6361 H 1 noname 0.0465 47 H11 8.0307 4.4546 -5.0163 H 1 noname 0.0465 48 H12 4.6386 4.8941 -6.2466 H 1 noname 0.0433 49 H13 6.2123 5.8121 -5.7517 H 1 noname 0.0433 50 H14 -1.4841 3.7400 -9.5499 H 1 noname 0.0397 51 H15 -0.3285 3.9828 -10.8818 H 1 noname 0.0397 52 H16 -1.4009 2.5621 -10.8818 H 1 noname 0.0397 53 H17 -1.3428 4.6825 -0.8313 H 1 noname 0.0616 54 H18 1.1161 3.1859 2.1872 H 1 noname 0.0616 55 H19 6.3603 3.7151 -7.8515 H 1 noname 0.0243 56 H20 5.5907 5.2471 -8.3300 H 1 noname 0.0243 57 H21 7.2523 5.2471 -7.6918 H 1 noname 0.0243 58 H22 8.2009 4.2312 -1.3014 H 1 noname 0.0260 59 H23 9.0489 3.4318 -2.6468 H 1 noname 0.0260 60 H24 8.8480 5.2004 -2.6468 H 1 noname 0.0260 61 H25 6.1441 5.8171 -2.1935 H 1 noname 0.0260 62 H26 6.9670 6.1652 -3.7329 H 1 noname 0.0260 63 H27 5.3957 5.3289 -3.7329 H 1 noname 0.0260 64 H28 -2.4234 3.1757 0.6320 H 1 noname 0.0294 65 H29 -1.6537 1.9535 -0.5838 H 1 noname 0.0294 66 H30 -0.3652 1.1634 1.0330 H 1 noname 0.0294 67 H31 -1.1214 2.3985 2.2443 H 1 noname 0.0294 @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 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 8 12 1 13 9 13 1 14 9 14 2 15 11 15 1 16 12 16 2 17 12 17 1 18 13 18 2 19 13 19 1 20 14 20 1 21 14 16 1 22 15 21 2 23 15 22 1 24 17 23 1 25 17 24 1 26 19 25 1 27 19 26 1 28 20 27 1 29 22 28 1 30 23 29 1 31 24 30 1 32 25 27 1 33 26 31 1 34 27 32 1 35 27 33 1 36 29 34 1 37 29 35 1 38 30 36 1 39 30 34 1 40 35 36 1 41 4 37 1 42 6 38 1 43 10 39 1 44 11 40 1 45 22 41 1 46 23 42 1 47 23 43 1 48 24 44 1 49 24 45 1 50 25 46 1 51 25 47 1 52 26 48 1 53 26 49 1 54 28 50 1 55 28 51 1 56 28 52 1 57 29 53 1 58 30 54 1 59 31 55 1 60 31 56 1 61 31 57 1 62 32 58 1 63 32 59 1 64 32 60 1 65 33 61 1 66 33 62 1 67 33 63 1 68 35 64 1 69 35 65 1 70 36 66 1 71 36 67 1 @SUBSTRUCTURE 1 noname 1