@MOLECULE 71576678 69 73 1 SMALL USER_CHARGES @ATOM 1 F1 -18.4850 -5.1968 -0.1781 F 1 noname -0.1521 2 F2 -14.4219 -2.5061 -4.9549 F 1 noname -0.1523 3 N1 -9.8228 -6.0947 2.6207 N.3 1 noname -0.2964 4 N2 -9.1690 -7.7870 5.0034 N.3 1 noname -0.3010 5 N3 -18.8909 -1.4605 -3.1214 N.3 1 noname -0.0382 6 N4 -19.8178 -2.7722 -1.4563 N.2 1 noname -0.2256 7 N5 -10.8290 -7.6596 -1.3766 N.2 1 noname -0.2503 8 N6 -12.4673 -7.0113 -2.8721 N.3 1 noname 0.0548 9 N7 -14.2752 -5.5685 -3.0492 N.2 1 noname -0.2037 10 N8 -12.4372 -5.3736 -4.5130 N.2 1 noname -0.2164 11 C1 -9.1027 -5.5150 3.8063 C.3 1 noname 0.0114 12 C2 -10.4260 -7.4587 2.8551 C.3 1 noname 0.0114 13 C3 -9.2308 -6.2902 5.1282 C.3 1 noname 0.0111 14 C4 -9.4838 -8.3705 3.6571 C.3 1 noname 0.0111 15 C5 -8.9747 -5.9337 1.3943 C.3 1 noname 0.0250 16 C6 -7.9610 -8.4148 5.5976 C.3 1 noname -0.0045 17 C7 -9.7906 -6.1621 0.1975 C.2 1 noname -0.0365 18 C8 -7.8501 -8.1551 7.1180 C.3 1 noname -0.0524 19 C9 -18.6864 -0.4082 -4.1137 C.3 1 noname -0.0486 20 C10 -10.5485 -5.1069 -0.3266 C.2 1 noname -0.0343 21 C11 -9.9321 -7.4408 -0.3862 C.2 1 noname 0.0033 22 C12 -18.1060 -2.5481 -2.6961 C.2 1 noname -0.0429 23 C13 -19.9591 -1.6870 -2.2805 C.2 1 noname -0.0453 24 C14 -18.6388 -3.3830 -1.6770 C.2 1 noname 0.0566 25 C15 -11.4561 -5.3652 -1.3514 C.2 1 noname -0.0196 26 C16 -18.0600 0.8166 -3.4073 C.3 1 noname -0.0463 27 C17 -17.8889 -0.8389 -5.3970 C.3 1 noname -0.0463 28 C18 -16.8374 -2.9207 -3.1573 C.2 1 noname -0.0029 29 C19 -11.6097 -6.6748 -1.8776 C.2 1 noname 0.0289 30 C20 -16.1087 -4.0627 -2.7842 C.2 1 noname 0.0056 31 C21 -17.9540 -4.5024 -1.1617 C.2 1 noname 0.0810 32 C22 -21.2092 -0.8860 -2.1823 C.3 1 noname 0.0417 33 C23 -16.6790 -4.8455 -1.7250 C.2 1 noname 0.0449 34 C24 -14.8556 -4.4033 -3.4502 C.2 1 noname 0.0791 35 C25 -13.1001 -6.0383 -3.5397 C.2 1 noname 0.0832 36 C26 -14.1321 -3.6810 -4.4511 C.2 1 noname 0.0591 37 C27 -12.9369 -4.2119 -4.9818 C.2 1 noname 0.0639 38 H1 -9.4605 -4.4983 3.9794 H 1 noname 0.0444 39 H2 -8.0188 -5.4314 3.6294 H 1 noname 0.0444 40 H3 -11.3855 -7.3496 3.3650 H 1 noname 0.0444 41 H4 -10.6522 -8.0230 1.9553 H 1 noname 0.0444 42 H5 -9.9670 -9.3470 3.7674 H 1 noname 0.0443 43 H6 -8.5794 -8.5378 3.0563 H 1 noname 0.0443 44 H7 -10.1538 -6.0275 5.6455 H 1 noname 0.0443 45 H8 -8.3982 -5.8779 5.7151 H 1 noname 0.0443 46 H9 -8.5809 -4.9112 1.3541 H 1 noname 0.0481 47 H10 -8.1007 -6.5905 1.4194 H 1 noname 0.0481 48 H11 -7.9825 -9.5049 5.4497 H 1 noname 0.0427 49 H12 -7.0870 -8.0395 5.0603 H 1 noname 0.0427 50 H13 -6.9482 -8.6378 7.4919 H 1 noname 0.0243 51 H14 -8.7368 -8.5633 7.6088 H 1 noname 0.0243 52 H15 -7.7875 -7.0806 7.3559 H 1 noname 0.0243 53 H16 -19.6511 -0.0799 -4.4941 H 1 noname 0.0503 54 H17 -10.4722 -4.1556 0.0343 H 1 noname 0.0627 55 H18 -9.3916 -8.2292 -0.0520 H 1 noname 0.0843 56 H19 -17.9795 -0.1401 -6.2091 H 1 noname 0.0249 57 H20 -18.2662 -1.8219 -5.7073 H 1 noname 0.0249 58 H21 -16.8076 -0.9480 -5.1988 H 1 noname 0.0249 59 H22 -17.9002 1.6129 -4.1343 H 1 noname 0.0249 60 H23 -18.7327 1.1683 -2.6252 H 1 noname 0.0249 61 H24 -17.1055 0.5319 -2.9647 H 1 noname 0.0249 62 H25 -16.3771 -2.3231 -3.7854 H 1 noname 0.0650 63 H26 -11.9894 -4.5742 -1.7015 H 1 noname 0.0656 64 H27 -21.7200 -0.8902 -3.1452 H 1 noname 0.0309 65 H28 -21.8604 -1.3203 -1.4237 H 1 noname 0.0309 66 H29 -20.9630 0.1393 -1.9061 H 1 noname 0.0309 67 H30 -16.1939 -5.6704 -1.3271 H 1 noname 0.0661 68 H31 -12.0183 -7.5965 -3.5021 H 1 noname 0.1388 69 H32 -12.4202 -3.7114 -5.7016 H 1 noname 0.0872 @BOND 1 1 31 1 2 2 36 1 3 3 11 1 4 3 12 1 5 3 15 1 6 4 13 1 7 4 14 1 8 4 16 1 9 5 19 1 10 5 22 1 11 5 23 1 12 6 23 2 13 6 24 1 14 7 21 1 15 7 29 2 16 8 29 1 17 8 35 1 18 8 68 1 19 9 34 2 20 9 35 1 21 10 35 2 22 10 37 1 23 11 13 1 24 11 38 1 25 11 39 1 26 12 14 1 27 12 40 1 28 12 41 1 29 13 44 1 30 13 45 1 31 14 42 1 32 14 43 1 33 15 17 1 34 15 46 1 35 15 47 1 36 16 18 1 37 16 48 1 38 16 49 1 39 17 20 1 40 17 21 2 41 18 50 1 42 18 51 1 43 18 52 1 44 19 26 1 45 19 27 1 46 19 53 1 47 20 25 2 48 20 54 1 49 21 55 1 50 22 24 2 51 22 28 1 52 23 32 1 53 24 31 1 54 25 29 1 55 25 63 1 56 26 59 1 57 26 60 1 58 26 61 1 59 27 56 1 60 27 57 1 61 27 58 1 62 28 30 2 63 28 62 1 64 30 33 1 65 30 34 1 66 31 33 2 67 32 64 1 68 32 65 1 69 32 66 1 70 33 67 1 71 34 36 1 72 36 37 2 73 37 69 1 @SUBSTRUCTURE 1 noname 1