@MOLECULE 50328584 73 79 1 SMALL USER_CHARGES @ATOM 1 F1 10.6570 -2.2119 2.9326 F 1 noname -0.1660 2 C1 10.6112 -3.5450 3.2493 C.3 1 noname 0.4176 3 F2 11.3902 -4.2509 2.3692 F 1 noname -0.1660 4 F3 11.0811 -3.7283 4.5242 F 1 noname -0.1660 5 C2 9.2257 -4.0201 3.1659 C.2 1 noname -0.0104 6 C3 8.3189 -4.0286 2.0167 C.2 1 noname 0.0054 7 C4 8.8159 -4.4382 4.4504 C.2 1 noname 0.0024 8 N1 8.7126 -3.9716 0.6376 N.3 1 noname -0.1253 9 C5 6.9133 -4.1585 2.3160 C.2 1 noname -0.0477 10 C6 7.4335 -4.6796 4.6714 C.2 1 noname -0.0396 11 C7 10.0903 -4.2484 0.2594 C.3 1 noname 0.0164 12 C8 7.8115 -3.7015 -0.4982 C.3 1 noname 0.0164 13 C9 6.4806 -4.4424 3.6345 C.2 1 noname -0.0281 14 N2 7.0575 -5.0862 5.9343 N.3 1 noname -0.1193 15 C10 10.3152 -5.1129 -1.0064 C.3 1 noname 0.0190 16 C11 7.8416 -4.8266 -1.5825 C.3 1 noname 0.0190 17 C12 6.6154 -6.3914 6.2140 C.2 1 noname 0.0144 18 C13 7.1821 -4.1251 6.9490 C.2 1 noname 0.1011 19 N3 9.1102 -5.5314 -1.6967 N.3 1 noname -0.0685 20 C14 6.3698 -7.5001 5.2915 C.2 1 noname 0.0163 21 C15 6.3582 -6.6450 7.6145 C.2 1 noname 0.0111 22 O1 7.5416 -2.9395 6.7521 O.2 1 noname -0.2762 23 C16 6.9281 -4.3985 8.3024 C.2 1 noname 0.0509 24 C17 9.2480 -6.6741 -2.4901 C.2 1 noname 0.0425 25 C18 5.8678 -8.7262 5.8746 C.2 1 noname 0.0401 26 C19 6.5232 -7.5332 3.8649 C.2 1 noname -0.0116 27 C20 5.9059 -7.8759 8.0988 C.2 1 noname 0.0094 28 C21 6.5130 -5.6878 8.6339 C.2 1 noname 0.0024 29 O2 10.0762 -7.5850 -2.1899 O.2 1 noname -0.2953 30 C22 8.5123 -7.0262 -3.7287 C.3 1 noname 0.0186 31 N4 5.6788 -8.8566 7.2041 N.2 1 noname -0.2438 32 C23 5.5085 -9.8994 5.1649 C.2 1 noname -0.0082 33 C24 6.1423 -8.6869 3.0971 C.2 1 noname -0.0331 34 C25 8.7583 -5.9525 -4.7906 C.3 1 noname -0.0571 35 C26 5.6554 -9.8465 3.7682 C.2 1 noname -0.0284 36 C27 6.2324 -8.7584 1.6702 C.2 1 noname -0.0129 37 C28 7.5084 -8.7221 1.0357 C.2 1 noname 0.0035 38 C29 5.0712 -8.9479 0.8406 C.2 1 noname -0.0214 39 N5 7.6102 -8.9373 -0.3067 N.2 1 noname -0.2447 40 C30 5.1788 -9.1327 -0.5577 C.2 1 noname 0.0063 41 C31 6.5119 -9.1780 -1.1082 C.2 1 noname 0.0246 42 C32 4.0222 -9.3035 -1.3919 C.2 1 noname -0.0398 43 C33 6.6926 -9.4916 -2.4911 C.2 1 noname -0.0164 44 C34 4.2333 -9.5527 -2.7821 C.2 1 noname -0.0589 45 C35 5.5483 -9.6566 -3.3205 C.2 1 noname -0.0523 46 H1 9.5459 -4.5708 5.2488 H 1 noname 0.0646 47 H2 6.1651 -4.0400 1.5323 H 1 noname 0.0640 48 H3 10.5018 -3.2640 0.0368 H 1 noname 0.0448 49 H4 10.4796 -4.8248 1.0987 H 1 noname 0.0448 50 H5 6.8102 -3.6983 -0.0675 H 1 noname 0.0448 51 H6 8.2079 -2.7985 -0.9625 H 1 noname 0.0448 52 H7 5.4130 -4.4784 3.8514 H 1 noname 0.0640 53 H8 10.8319 -4.4826 -1.7302 H 1 noname 0.0449 54 H9 10.7697 -6.0460 -0.6736 H 1 noname 0.0449 55 H10 7.1365 -5.5946 -1.2643 H 1 noname 0.0449 56 H11 7.7176 -4.3401 -2.5500 H 1 noname 0.0449 57 H12 7.0492 -3.6349 9.0708 H 1 noname 0.0675 58 H13 6.9376 -6.6642 3.3538 H 1 noname 0.0636 59 H14 5.7329 -8.0679 9.1577 H 1 noname 0.0846 60 H15 6.3125 -5.9435 9.6743 H 1 noname 0.0631 61 H16 8.9565 -7.9519 -4.0944 H 1 noname 0.0358 62 H17 7.4530 -6.9935 -3.4736 H 1 noname 0.0358 63 H18 5.1392 -10.7939 5.6663 H 1 noname 0.0645 64 H19 8.9760 -5.0023 -4.3030 H 1 noname 0.0235 65 H20 9.6045 -6.2440 -5.4127 H 1 noname 0.0235 66 H21 7.8695 -5.8464 -5.4127 H 1 noname 0.0235 67 H22 5.3841 -10.7293 3.1892 H 1 noname 0.0629 68 H23 8.4266 -8.5253 1.5892 H 1 noname 0.0846 69 H24 4.0765 -8.9515 1.2864 H 1 noname 0.0636 70 H25 3.0138 -9.2458 -0.9820 H 1 noname 0.0629 71 H26 7.6930 -9.6038 -2.9090 H 1 noname 0.0645 72 H27 3.3751 -9.6657 -3.4444 H 1 noname 0.0622 73 H28 5.6808 -9.8652 -4.3821 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 8 11 1 11 8 12 1 12 9 13 2 13 10 14 1 14 10 13 1 15 11 15 1 16 12 16 1 17 14 17 1 18 14 18 1 19 15 19 1 20 16 19 1 21 17 20 1 22 17 21 2 23 18 22 2 24 18 23 1 25 19 24 1 26 20 25 1 27 20 26 2 28 21 27 1 29 21 28 1 30 23 28 2 31 24 29 2 32 24 30 1 33 25 31 1 34 25 32 2 35 26 33 1 36 27 31 2 37 30 34 1 38 32 35 1 39 33 36 1 40 33 35 2 41 36 37 1 42 36 38 2 43 37 39 2 44 38 40 1 45 39 41 1 46 40 42 2 47 40 41 1 48 41 43 2 49 42 44 1 50 43 45 1 51 44 45 2 52 7 46 1 53 9 47 1 54 11 48 1 55 11 49 1 56 12 50 1 57 12 51 1 58 13 52 1 59 15 53 1 60 15 54 1 61 16 55 1 62 16 56 1 63 23 57 1 64 26 58 1 65 27 59 1 66 28 60 1 67 30 61 1 68 30 62 1 69 32 63 1 70 34 64 1 71 34 65 1 72 34 66 1 73 35 67 1 74 37 68 1 75 38 69 1 76 42 70 1 77 43 71 1 78 44 72 1 79 45 73 1 @SUBSTRUCTURE 1 noname 1