@MOLECULE 50315214 59 65 1 SMALL USER_CHARGES @ATOM 1 F1 6.9041 0.8450 -6.8728 F 1 noname -0.2016 2 C1 5.8980 1.7082 -6.5232 C.3 1 noname 0.2937 3 F2 5.5716 1.5196 -5.2050 F 1 noname -0.2016 4 C2 4.7263 1.4528 -7.3560 C.2 1 noname 0.0160 5 N1 4.0695 0.2726 -7.4033 N.2 1 noname -0.2014 6 N2 4.1596 2.3714 -8.1804 N.3 1 noname 0.0181 7 C3 3.0658 0.4283 -8.2697 C.2 1 noname 0.0196 8 C4 4.6576 3.6523 -8.4009 C.2 1 noname 0.1036 9 C5 3.0871 1.7629 -8.7384 C.2 1 noname -0.0346 10 C6 2.1129 -0.5386 -8.7121 C.2 1 noname -0.0092 11 N3 3.9173 4.5703 -9.0953 N.2 1 noname -0.2427 12 N4 5.9030 4.0540 -7.9727 N.2 1 noname -0.2427 13 C7 2.0955 2.2202 -9.6704 C.2 1 noname -0.0278 14 C8 1.1446 -0.0809 -9.6567 C.2 1 noname -0.0437 15 C9 4.3654 5.8176 -9.3932 C.2 1 noname 0.0951 16 C10 6.4112 5.2982 -8.2139 C.2 1 noname 0.0951 17 C11 1.1288 1.2719 -10.1191 C.2 1 noname -0.0465 18 N5 5.5996 6.1252 -8.9352 N.2 1 noname -0.2490 19 N6 3.6508 6.7390 -10.1323 N.3 1 noname -0.0529 20 N7 7.6709 5.7755 -7.8234 N.3 1 noname -0.0529 21 C12 2.6823 6.2322 -11.1090 C.3 1 noname 0.0325 22 C13 3.9332 8.1737 -9.9488 C.3 1 noname 0.0325 23 C14 8.3471 5.5614 -6.5445 C.3 1 noname 0.0325 24 C15 8.3043 6.6177 -8.8199 C.3 1 noname 0.0325 25 C16 2.3999 7.2796 -12.2437 C.3 1 noname 0.0713 26 C17 3.5482 9.0078 -11.2200 C.3 1 noname 0.0713 27 C18 9.2998 6.7866 -6.1098 C.3 1 noname 0.0713 28 C19 9.0824 7.8240 -8.1490 C.3 1 noname 0.0713 29 O1 3.5582 8.1404 -12.3831 O.3 1 noname -0.3721 30 C20 1.3088 8.2872 -11.8358 C.3 1 noname -0.0229 31 C21 2.0759 9.4442 -11.1585 C.3 1 noname -0.0229 32 O2 10.0508 7.2582 -7.2404 O.3 1 noname -0.3721 33 C22 8.4969 8.0630 -5.8109 C.3 1 noname -0.0229 34 C23 8.2544 8.7327 -7.1890 C.3 1 noname -0.0229 35 H1 6.2801 2.7235 -6.6286 H 1 noname 0.1122 36 H2 2.1240 -1.5665 -8.3497 H 1 noname 0.0645 37 H3 2.0772 3.2509 -10.0247 H 1 noname 0.0643 38 H4 0.3995 -0.7812 -10.0340 H 1 noname 0.0623 39 H5 0.3635 1.5869 -10.8285 H 1 noname 0.0623 40 H6 3.1688 5.3724 -11.5696 H 1 noname 0.0462 41 H7 1.7576 6.0992 -10.5475 H 1 noname 0.0462 42 H8 3.2771 8.4918 -9.1386 H 1 noname 0.0462 43 H9 5.0149 8.2383 -9.8314 H 1 noname 0.0462 44 H10 7.5333 5.5012 -5.8218 H 1 noname 0.0462 45 H11 8.9826 4.6941 -6.7231 H 1 noname 0.0462 46 H12 9.0382 5.9721 -9.3024 H 1 noname 0.0462 47 H13 7.4785 7.0316 -9.3985 H 1 noname 0.0462 48 H14 2.1709 6.7414 -13.1636 H 1 noname 0.0616 49 H15 4.2512 9.8335 -11.3305 H 1 noname 0.0616 50 H16 9.9443 6.4512 -5.2972 H 1 noname 0.0616 51 H17 9.5147 8.4092 -8.9606 H 1 noname 0.0616 52 H18 0.8574 8.6755 -12.7488 H 1 noname 0.0294 53 H19 0.6848 7.8124 -11.0786 H 1 noname 0.0294 54 H20 1.7807 9.4747 -10.1097 H 1 noname 0.0294 55 H21 1.9649 10.3314 -11.7820 H 1 noname 0.0294 56 H22 7.5287 7.7555 -5.4158 H 1 noname 0.0294 57 H23 9.1383 8.7242 -5.2283 H 1 noname 0.0294 58 H24 8.7121 9.7217 -7.1723 H 1 noname 0.0294 59 H25 7.1990 8.6247 -7.4391 H 1 noname 0.0294 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 1 10 7 9 2 11 8 11 2 12 8 12 1 13 9 13 1 14 10 14 2 15 11 15 1 16 12 16 2 17 13 17 2 18 14 17 1 19 15 18 2 20 15 19 1 21 16 20 1 22 16 18 1 23 19 21 1 24 19 22 1 25 20 23 1 26 20 24 1 27 21 25 1 28 22 26 1 29 23 27 1 30 24 28 1 31 25 29 1 32 25 30 1 33 26 31 1 34 26 29 1 35 27 32 1 36 27 33 1 37 28 34 1 38 28 32 1 39 30 31 1 40 33 34 1 41 2 35 1 42 10 36 1 43 13 37 1 44 14 38 1 45 17 39 1 46 21 40 1 47 21 41 1 48 22 42 1 49 22 43 1 50 23 44 1 51 23 45 1 52 24 46 1 53 24 47 1 54 25 48 1 55 26 49 1 56 27 50 1 57 28 51 1 58 30 52 1 59 30 53 1 60 31 54 1 61 31 55 1 62 33 56 1 63 33 57 1 64 34 58 1 65 34 59 1 @SUBSTRUCTURE 1 noname 1