@MOLECULE 67418070 56 56 1 SMALL USER_CHARGES @ATOM 1 F1 -1.7864 3.7504 -3.4837 F 1 noname -0.1660 2 F2 -0.8055 1.9440 -4.3708 F 1 noname -0.1660 3 F3 0.3231 3.8719 -4.2236 F 1 noname -0.1660 4 O1 -4.7748 2.2376 2.4381 O.3 1 noname -0.3942 5 O2 -2.8880 -1.0789 4.1276 O.3 1 noname -0.3942 6 O3 1.8698 3.9316 -2.6350 O.3 1 noname -0.2691 7 N1 -3.8227 -0.2895 1.5676 N.3 1 noname -0.3212 8 C1 -3.0109 0.5965 2.4003 C.3 1 noname 0.0627 9 C2 -2.1589 1.4987 1.5052 C.3 1 noname -0.0265 10 C3 -1.2429 0.6355 0.6353 C.3 1 noname 0.0055 11 C4 -3.9269 1.4597 3.2702 C.3 1 noname 0.0635 12 C5 -2.0973 -0.2416 3.2969 C.3 1 noname 0.0635 13 C6 -0.4300 1.4964 -0.2189 C.2 1 noname -0.0592 14 C7 2.0507 7.6577 -3.0034 C.3 1 noname -0.0511 15 C8 2.9026 8.5599 -3.8985 C.3 1 noname -0.0532 16 C9 2.3987 6.1931 -3.2766 C.3 1 noname -0.0291 17 C10 -0.8924 1.8632 -1.4773 C.2 1 noname -0.0202 18 C11 2.5546 10.0245 -3.6253 C.3 1 noname -0.0535 19 C12 0.8065 1.9491 0.2264 C.2 1 noname -0.0517 20 C13 -0.1184 2.6828 -2.2905 C.2 1 noname 0.0157 21 C14 1.1180 3.1356 -1.8452 C.2 1 noname 0.0253 22 C15 1.5468 5.2909 -2.3815 C.3 1 noname 0.0534 23 C16 1.5805 2.7687 -0.5868 C.2 1 noname -0.0229 24 C17 3.4066 10.9267 -4.5204 C.3 1 noname -0.0561 25 C18 -0.6042 3.0681 -3.6123 C.3 1 noname 0.4186 26 C19 3.0586 12.3913 -4.2472 C.3 1 noname -0.0654 27 H1 -2.8098 2.0958 0.8664 H 1 noname 0.0290 28 H2 -1.5537 2.1593 2.1260 H 1 noname 0.0290 29 H3 -1.8482 -0.0251 0.0145 H 1 noname 0.0316 30 H4 -0.5921 0.0384 1.2740 H 1 noname 0.0316 31 H5 -4.5338 0.8170 3.9079 H 1 noname 0.0583 32 H6 -3.3216 2.1203 3.8910 H 1 noname 0.0583 33 H7 -1.4921 0.4190 3.9177 H 1 noname 0.0583 34 H8 -1.4447 -0.8565 2.6771 H 1 noname 0.0583 35 H9 -4.3917 -0.8921 2.1655 H 1 noname 0.1191 36 H10 -4.4329 0.2703 0.9687 H 1 noname 0.1191 37 H11 0.9952 7.8263 -3.2170 H 1 noname 0.0267 38 H12 2.2513 7.8898 -1.9574 H 1 noname 0.0267 39 H13 2.7020 8.3278 -4.9444 H 1 noname 0.0266 40 H14 3.9581 8.3913 -3.6848 H 1 noname 0.0266 41 H15 2.1981 5.9610 -4.3225 H 1 noname 0.0290 42 H16 3.4542 6.0245 -3.0629 H 1 noname 0.0290 43 H17 -1.7998 1.5310 -1.8040 H 1 noname 0.0632 44 H18 1.4991 10.1931 -3.8389 H 1 noname 0.0266 45 H19 2.7552 10.2566 -2.5793 H 1 noname 0.0266 46 H20 1.1459 1.6799 1.1498 H 1 noname 0.0626 47 H21 0.4913 5.4595 -2.5951 H 1 noname 0.0571 48 H22 1.7474 5.5231 -1.3355 H 1 noname 0.0571 49 H23 2.4879 3.1010 -0.2601 H 1 noname 0.0650 50 H24 3.2060 10.6945 -5.5663 H 1 noname 0.0264 51 H25 4.4621 10.7581 -4.3067 H 1 noname 0.0264 52 H26 -5.3615 2.7905 2.9953 H 1 noname 0.2101 53 H27 -2.3028 -1.6157 4.7019 H 1 noname 0.2101 54 H28 3.6655 13.0340 -4.8849 H 1 noname 0.0230 55 H29 2.0031 12.5599 -4.4608 H 1 noname 0.0230 56 H30 3.2592 12.6234 -3.2012 H 1 noname 0.0230 @BOND 1 1 25 1 2 2 25 1 3 3 25 1 4 4 11 1 5 4 52 1 6 5 12 1 7 5 53 1 8 6 21 1 9 6 22 1 10 7 8 1 11 7 35 1 12 7 36 1 13 8 9 1 14 8 11 1 15 8 12 1 16 9 10 1 17 9 27 1 18 9 28 1 19 10 13 1 20 10 29 1 21 10 30 1 22 11 31 1 23 11 32 1 24 12 33 1 25 12 34 1 26 13 17 2 27 13 19 1 28 14 15 1 29 14 16 1 30 14 37 1 31 14 38 1 32 15 18 1 33 15 39 1 34 15 40 1 35 16 22 1 36 16 41 1 37 16 42 1 38 17 20 1 39 17 43 1 40 18 24 1 41 18 44 1 42 18 45 1 43 19 23 2 44 19 46 1 45 20 21 2 46 20 25 1 47 21 23 1 48 22 47 1 49 22 48 1 50 23 49 1 51 24 26 1 52 24 50 1 53 24 51 1 54 26 54 1 55 26 55 1 56 26 56 1 @SUBSTRUCTURE 1 noname 1