@MOLECULE 116143 67 71 1 SMALL USER_CHARGES @ATOM 1 F1 2.4876 0.9963 -2.0512 F 1 noname -0.1548 2 C1 1.2159 1.2422 -2.1736 C.2 1 noname 0.0796 3 C2 0.5479 2.1645 -1.3085 C.2 1 noname 0.0913 4 C3 0.4286 0.6040 -3.1756 C.2 1 noname 0.0265 5 C4 -0.8482 2.4506 -1.3554 C.2 1 noname 0.0796 6 C5 1.3045 2.9450 -0.3302 C.2 1 noname 0.0481 7 C6 -0.9774 0.8864 -3.2843 C.2 1 noname 0.0121 8 F2 -1.3994 3.2726 -0.5110 F 1 noname -0.1548 9 C7 -1.6105 1.8038 -2.3584 C.2 1 noname 0.0265 10 O1 1.3418 2.6244 0.8774 O.2 1 noname -0.2877 11 N1 2.0280 4.1398 -0.8438 N.3 1 noname -0.0604 12 C8 -1.7983 0.2807 -4.3100 C.2 1 noname 0.0478 13 C9 2.5356 4.8903 0.3515 C.3 1 noname 0.0190 14 C10 1.4430 4.9399 -1.9923 C.3 1 noname 0.0190 15 N2 -2.8885 1.0194 -4.7175 N.2 1 noname -0.2213 16 C11 -1.5871 -1.0187 -4.9179 C.2 1 noname 0.0415 17 C12 1.5453 6.0171 0.8055 C.3 1 noname 0.0120 18 C13 0.7894 6.2891 -1.6063 C.3 1 noname 0.0120 19 C14 -3.8006 0.5871 -5.6304 C.2 1 noname 0.0456 20 C15 -0.6182 -1.8689 -4.6975 C.1 1 noname -0.0100 21 C16 -2.5549 -1.4426 -5.8596 C.2 1 noname 0.0371 22 N3 0.4081 6.2817 -0.1647 N.3 1 noname -0.2943 23 N4 -3.6134 -0.6439 -6.1768 N.2 1 noname -0.2300 24 C17 0.2640 -2.6775 -4.5248 C.1 1 noname -0.0269 25 C18 -2.4184 -2.7486 -6.4979 C.3 1 noname 0.0467 26 C19 -0.0545 7.6777 0.0108 C.3 1 noname 0.0479 27 C20 1.2195 -3.5562 -4.3399 C.2 1 noname -0.0258 28 C21 -3.6441 -3.6051 -6.1739 C.3 1 noname -0.0597 29 C22 -0.6145 8.1486 1.3260 C.2 1 noname 0.0971 30 C23 2.3836 -3.1902 -3.5987 C.2 1 noname 0.0129 31 C24 1.1221 -4.8870 -4.8648 C.2 1 noname -0.0243 32 O2 -1.9364 8.3837 1.5351 O.3 1 noname -0.3213 33 C25 0.1324 8.5301 2.4468 C.2 1 noname 0.0593 34 N5 3.3605 -4.1485 -3.4235 N.2 1 noname -0.2633 35 C26 2.1478 -5.8589 -4.6688 C.2 1 noname -0.0315 36 N6 -2.0466 8.8941 2.7296 N.2 1 noname -0.1607 37 C27 -0.8405 9.0231 3.3210 C.2 1 noname 0.0680 38 C28 3.2815 -5.4335 -3.9195 C.2 1 noname 0.0173 39 C29 -0.5940 9.5821 4.6470 C.3 1 noname 0.0474 40 N7 4.2848 -6.2925 -3.6932 N.3 1 noname -0.1209 41 H1 0.9022 -0.1005 -3.8592 H 1 noname 0.0660 42 H2 -2.6790 2.0109 -2.4174 H 1 noname 0.0660 43 H3 2.5760 4.1575 1.1574 H 1 noname 0.0449 44 H4 3.4483 5.3836 0.0172 H 1 noname 0.0449 45 H5 2.2950 5.1920 -2.6238 H 1 noname 0.0449 46 H6 0.6370 4.3208 -2.3862 H 1 noname 0.0449 47 H7 1.0645 5.6546 1.7141 H 1 noname 0.0444 48 H8 2.1219 6.9419 0.8257 H 1 noname 0.0444 49 H9 1.5527 7.0603 -1.7106 H 1 noname 0.0444 50 H10 -0.1443 6.3677 -2.1631 H 1 noname 0.0444 51 H11 -4.6520 1.2057 -5.9142 H 1 noname 0.1061 52 H12 -2.4233 -2.5595 -7.5713 H 1 noname 0.0329 53 H13 -1.5539 -3.2212 -6.0316 H 1 noname 0.0329 54 H14 0.8477 8.2724 -0.1328 H 1 noname 0.0503 55 H15 -0.8844 7.7686 -0.6900 H 1 noname 0.0503 56 H16 -3.7567 -3.6839 -5.0926 H 1 noname 0.0234 57 H17 -4.5341 -3.1414 -6.5991 H 1 noname 0.0234 58 H18 -3.5145 -4.6004 -6.5991 H 1 noname 0.0234 59 H19 2.5242 -2.1963 -3.1739 H 1 noname 0.0853 60 H20 0.2363 -5.1700 -5.4335 H 1 noname 0.0637 61 H21 1.2091 8.4603 2.6013 H 1 noname 0.0668 62 H22 2.0697 -6.8697 -5.0690 H 1 noname 0.0656 63 H23 -0.4607 8.7718 5.3638 H 1 noname 0.0296 64 H24 0.3064 10.1959 4.6210 H 1 noname 0.0296 65 H25 -1.4436 10.1959 4.9463 H 1 noname 0.0296 66 H26 4.0941 -7.2806 -3.6079 H 1 noname 0.1257 67 H27 5.2318 -5.9517 -3.6079 H 1 noname 0.1257 @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 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 1 23 18 22 1 24 19 23 2 25 20 24 3 26 21 25 1 27 21 23 1 28 22 26 1 29 24 27 1 30 25 28 1 31 26 29 1 32 27 30 2 33 27 31 1 34 29 32 1 35 29 33 2 36 30 34 1 37 31 35 2 38 32 36 1 39 33 37 1 40 34 38 2 41 35 38 1 42 36 37 2 43 37 39 1 44 38 40 1 45 4 41 1 46 9 42 1 47 13 43 1 48 13 44 1 49 14 45 1 50 14 46 1 51 17 47 1 52 17 48 1 53 18 49 1 54 18 50 1 55 19 51 1 56 25 52 1 57 25 53 1 58 26 54 1 59 26 55 1 60 28 56 1 61 28 57 1 62 28 58 1 63 30 59 1 64 31 60 1 65 33 61 1 66 35 62 1 67 39 63 1 68 39 64 1 69 39 65 1 70 40 66 1 71 40 67 1 @SUBSTRUCTURE 1 noname 1