@MOLECULE 50328588 65 71 1 SMALL USER_CHARGES @ATOM 1 F1 10.9590 -6.5866 4.6190 F 1 noname -0.1660 2 C1 10.1043 -5.5558 4.8613 C.3 1 noname 0.4176 3 F2 9.5617 -5.6965 6.1125 F 1 noname -0.1660 4 F3 10.8695 -4.4311 5.0322 F 1 noname -0.1660 5 C2 9.0503 -5.1441 3.9109 C.2 1 noname -0.0104 6 C3 8.4202 -5.7846 2.7459 C.2 1 noname 0.0054 7 C4 8.6505 -3.8611 4.3815 C.2 1 noname 0.0024 8 N1 8.6018 -7.1484 2.2812 N.3 1 noname -0.1253 9 C5 7.4922 -4.9394 2.0182 C.2 1 noname -0.0477 10 C6 7.6479 -3.1111 3.7009 C.2 1 noname -0.0396 11 C7 9.6409 -8.0493 2.7541 C.3 1 noname 0.0157 12 C8 7.7218 -7.8325 1.2960 C.3 1 noname 0.0157 13 C9 7.1233 -3.6343 2.4771 C.2 1 noname -0.0281 14 N2 7.2055 -1.9088 4.2733 N.3 1 noname -0.1193 15 C10 8.9642 -9.1573 3.6154 C.3 1 noname 0.0084 16 C11 7.0226 -9.1101 1.8695 C.3 1 noname 0.0084 17 C12 6.0673 -1.7961 5.1096 C.2 1 noname 0.0144 18 C13 7.9899 -0.7859 4.0168 C.2 1 noname 0.1011 19 N3 7.7583 -9.8004 2.9859 N.3 1 noname -0.3141 20 C14 5.1280 -2.8295 5.4639 C.2 1 noname 0.0163 21 C15 5.8153 -0.4892 5.6758 C.2 1 noname 0.0111 22 O1 8.9899 -0.7927 3.2579 O.2 1 noname -0.2762 23 C16 7.7498 0.4752 4.5867 C.2 1 noname 0.0509 24 C17 3.9907 -2.4816 6.2914 C.2 1 noname 0.0401 25 C18 5.2231 -4.1935 5.0714 C.2 1 noname -0.0116 26 C19 4.7113 -0.2144 6.5019 C.2 1 noname 0.0094 27 C20 6.6463 0.6164 5.4338 C.2 1 noname 0.0024 28 N4 3.8452 -1.2177 6.7653 N.2 1 noname -0.2438 29 C21 2.9701 -3.3889 6.6785 C.2 1 noname -0.0082 30 C22 4.2491 -5.1626 5.4616 C.2 1 noname -0.0331 31 C23 3.1299 -4.7240 6.2466 C.2 1 noname -0.0284 32 C24 4.3978 -6.5479 5.0863 C.2 1 noname -0.0129 33 C25 5.6603 -7.2164 5.1604 C.2 1 noname 0.0035 34 C26 3.2817 -7.3053 4.6187 C.2 1 noname -0.0214 35 N5 5.7677 -8.5434 4.8674 N.2 1 noname -0.2447 36 C27 3.4288 -8.6390 4.2011 C.2 1 noname 0.0063 37 C28 4.7138 -9.2685 4.3989 C.2 1 noname 0.0246 38 C29 2.3835 -9.2928 3.4995 C.2 1 noname -0.0398 39 C30 4.9280 -10.6119 3.9765 C.2 1 noname -0.0164 40 C31 2.6427 -10.6076 3.0183 C.2 1 noname -0.0589 41 C32 3.8836 -11.2652 3.2642 C.2 1 noname -0.0523 42 H1 9.1182 -3.4475 5.2749 H 1 noname 0.0646 43 H2 7.0537 -5.3000 1.0876 H 1 noname 0.0640 44 H3 10.0584 -8.5180 1.8630 H 1 noname 0.0447 45 H4 10.2792 -7.4532 3.4063 H 1 noname 0.0447 46 H5 6.9338 -7.1126 1.0750 H 1 noname 0.0447 47 H6 8.3922 -8.1669 0.5043 H 1 noname 0.0447 48 H7 6.4337 -3.0309 1.8867 H 1 noname 0.0640 49 H8 9.6946 -9.9611 3.7082 H 1 noname 0.0441 50 H9 8.5837 -8.6609 4.5081 H 1 noname 0.0441 51 H10 6.0897 -8.7716 2.3202 H 1 noname 0.0441 52 H11 7.0035 -9.8381 1.0586 H 1 noname 0.0441 53 H12 7.4406 -10.7009 3.3148 H 1 noname 0.1223 54 H13 8.4030 1.3223 4.3771 H 1 noname 0.0675 55 H14 6.0659 -4.5048 4.4544 H 1 noname 0.0636 56 H15 4.5284 0.7690 6.9348 H 1 noname 0.0846 57 H16 6.4360 1.5786 5.9007 H 1 noname 0.0631 58 H17 2.1119 -3.0777 7.2741 H 1 noname 0.0645 59 H18 2.3608 -5.4426 6.5297 H 1 noname 0.0629 60 H19 6.5731 -6.6962 5.4506 H 1 noname 0.0846 61 H20 2.2907 -6.8531 4.5794 H 1 noname 0.0636 62 H21 1.4221 -8.8057 3.3372 H 1 noname 0.0629 63 H22 5.8648 -11.1256 4.1921 H 1 noname 0.0645 64 H23 1.8714 -11.1239 2.4469 H 1 noname 0.0622 65 H24 4.0360 -12.2821 2.9025 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 20 24 1 26 20 25 2 27 21 26 1 28 21 27 1 29 23 27 2 30 24 28 1 31 24 29 2 32 25 30 1 33 26 28 2 34 29 31 1 35 30 32 1 36 30 31 2 37 32 33 1 38 32 34 2 39 33 35 2 40 34 36 1 41 35 37 1 42 36 38 2 43 36 37 1 44 37 39 2 45 38 40 1 46 39 41 1 47 40 41 2 48 7 42 1 49 9 43 1 50 11 44 1 51 11 45 1 52 12 46 1 53 12 47 1 54 13 48 1 55 15 49 1 56 15 50 1 57 16 51 1 58 16 52 1 59 19 53 1 60 23 54 1 61 25 55 1 62 26 56 1 63 27 57 1 64 29 58 1 65 31 59 1 66 33 60 1 67 34 61 1 68 38 62 1 69 39 63 1 70 40 64 1 71 41 65 1 @SUBSTRUCTURE 1 noname 1