@MOLECULE 213786 66 71 1 SMALL USER_CHARGES @ATOM 1 F1 5.5813 2.1472 2.3247 F 1 noname -0.1660 2 C1 4.2431 2.2484 2.0447 C.3 1 noname 0.4176 3 F2 3.7912 1.0581 1.5362 F 1 noname -0.1660 4 F3 4.0429 3.2442 1.1238 F 1 noname -0.1660 5 C2 3.5122 2.5635 3.2687 C.2 1 noname -0.0099 6 C3 2.7385 3.7668 3.3634 C.2 1 noname 0.0071 7 C4 3.5583 1.6842 4.3787 C.2 1 noname 0.0044 8 N1 2.6813 4.5306 2.2108 N.3 1 noname -0.1251 9 C5 2.0678 4.1066 4.6081 C.2 1 noname -0.0472 10 C6 2.8235 1.9063 5.5791 C.2 1 noname -0.0388 11 C7 1.3448 4.7086 1.6438 C.3 1 noname 0.0157 12 C8 3.8896 5.1632 1.6830 C.3 1 noname 0.0157 13 C9 2.1202 3.1831 5.6973 C.2 1 noname -0.0261 14 N2 2.8768 0.8692 6.5606 N.3 1 noname -0.1103 15 C10 1.2516 5.6183 0.3852 C.3 1 noname 0.0084 16 C11 3.7014 5.9379 0.3482 C.3 1 noname 0.0084 17 C12 2.1782 1.1317 7.8169 C.2 1 noname 0.0553 18 C13 3.5732 -0.4110 6.5380 C.2 1 noname 0.0536 19 N3 2.3824 6.6008 0.3896 N.3 1 noname -0.3141 20 O1 0.9573 1.3719 7.9367 O.2 1 noname -0.2687 21 N4 3.1563 1.0656 8.9210 N.3 1 noname -0.0437 22 C14 3.8772 -1.2596 5.3976 C.2 1 noname 0.0532 23 C15 4.0033 -0.9626 7.8039 C.2 1 noname 0.0307 24 C16 3.6268 -0.3208 9.0719 C.3 1 noname 0.0351 25 C17 3.5741 2.1589 9.7073 C.3 1 noname -0.0041 26 N5 3.4467 -1.0736 4.1253 N.2 1 noname -0.2170 27 C18 4.6738 -2.4396 5.6022 C.2 1 noname 0.0309 28 C19 4.7373 -2.1515 7.9504 C.2 1 noname 0.0230 29 C20 3.7841 -1.8478 3.0372 C.2 1 noname 0.0259 30 N6 5.0658 -2.8340 6.8358 N.2 1 noname -0.2323 31 C21 5.0609 -3.2890 4.5431 C.2 1 noname 0.0060 32 C22 3.2918 -1.4846 1.7402 C.2 1 noname -0.0106 33 C23 4.6199 -2.9806 3.2538 C.2 1 noname -0.0017 34 C24 2.0216 -0.8198 1.6041 C.2 1 noname 0.0294 35 C25 4.0087 -1.7617 0.5178 C.2 1 noname -0.0064 36 N7 1.5591 -0.5144 0.3399 N.2 1 noname -0.2195 37 C26 3.5229 -1.4406 -0.7794 C.2 1 noname 0.0114 38 C27 2.2468 -0.7991 -0.8194 C.2 1 noname 0.0652 39 O2 1.7068 -0.4670 -2.0113 O.3 1 noname -0.2437 40 C28 2.1166 0.8451 -2.3675 C.3 1 noname 0.0440 41 H1 4.1873 0.7970 4.3057 H 1 noname 0.0646 42 H2 1.5294 5.0472 4.7240 H 1 noname 0.0640 43 H3 1.0560 3.7069 1.3256 H 1 noname 0.0447 44 H4 0.7866 5.2119 2.4332 H 1 noname 0.0447 45 H5 4.1598 5.9009 2.4387 H 1 noname 0.0447 46 H6 4.5595 4.3300 1.4707 H 1 noname 0.0447 47 H7 1.6193 3.4551 6.6264 H 1 noname 0.0640 48 H8 1.4062 4.9839 -0.4876 H 1 noname 0.0441 49 H9 0.3392 6.2076 0.4759 H 1 noname 0.0441 50 H10 4.4430 6.7361 0.3155 H 1 noname 0.0441 51 H11 3.6505 5.2079 -0.4596 H 1 noname 0.0441 52 H12 2.2677 7.6039 0.4176 H 1 noname 0.1223 53 H13 4.5436 -0.2620 9.6586 H 1 noname 0.0487 54 H14 2.7739 -0.8854 9.4487 H 1 noname 0.0487 55 H15 3.4772 1.9053 10.7629 H 1 noname 0.0399 56 H16 4.6154 2.3906 9.4834 H 1 noname 0.0399 57 H17 2.9526 3.0259 9.4834 H 1 noname 0.0399 58 H18 5.0490 -2.5408 8.9197 H 1 noname 0.0843 59 H19 5.6869 -4.1642 4.7171 H 1 noname 0.0646 60 H20 4.9252 -3.6182 2.4242 H 1 noname 0.0646 61 H21 1.4074 -0.5465 2.4621 H 1 noname 0.0847 62 H22 4.9832 -2.2462 0.5784 H 1 noname 0.0631 63 H23 4.0899 -1.6705 -1.6814 H 1 noname 0.0667 64 H24 2.2983 1.4269 -1.4638 H 1 noname 0.0535 65 H25 3.0326 0.7925 -2.9560 H 1 noname 0.0535 66 H26 1.3335 1.3231 -2.9560 H 1 noname 0.0535 @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 2 22 17 21 1 23 18 22 1 24 18 23 2 25 21 24 1 26 21 25 1 27 22 26 2 28 22 27 1 29 23 28 1 30 23 24 1 31 26 29 1 32 27 30 1 33 27 31 2 34 28 30 2 35 29 32 1 36 29 33 2 37 31 33 1 38 32 34 2 39 32 35 1 40 34 36 1 41 35 37 2 42 36 38 2 43 37 38 1 44 38 39 1 45 39 40 1 46 7 41 1 47 9 42 1 48 11 43 1 49 11 44 1 50 12 45 1 51 12 46 1 52 13 47 1 53 15 48 1 54 15 49 1 55 16 50 1 56 16 51 1 57 19 52 1 58 24 53 1 59 24 54 1 60 25 55 1 61 25 56 1 62 25 57 1 63 28 58 1 64 31 59 1 65 33 60 1 66 34 61 1 67 35 62 1 68 37 63 1 69 40 64 1 70 40 65 1 71 40 66 1 @SUBSTRUCTURE 1 noname 1