@MOLECULE 236561 48 53 1 SMALL USER_CHARGES @ATOM 1 F1 0.8957 -5.6880 3.1995 F 1 noname -0.1661 2 C1 0.8112 -5.1742 4.4839 C.3 1 noname 0.4161 3 F2 1.5196 -5.9736 5.3434 F 1 noname -0.1661 4 F3 -0.5290 -5.1878 4.7723 F 1 noname -0.1661 5 C2 1.2804 -3.8028 4.5997 C.2 1 noname -0.0002 6 C3 0.8517 -2.7447 3.7305 C.2 1 noname 0.0068 7 C4 2.2387 -3.5265 5.6184 C.2 1 noname -0.0210 8 C5 1.3651 -1.4033 3.7851 C.2 1 noname -0.0069 9 C6 2.8177 -2.2418 5.7902 C.2 1 noname -0.0423 10 N1 0.9855 -0.2864 2.8915 N.3 1 noname -0.0969 11 C7 2.3460 -1.2830 4.8632 C.2 1 noname -0.0248 12 C8 1.6318 0.9367 3.1493 C.2 1 noname 0.0923 13 C9 0.0428 -0.2351 1.7945 C.2 1 noname 0.0834 14 O1 2.5024 1.2387 4.0064 O.2 1 noname -0.2627 15 N2 1.4274 2.0864 2.5037 N.3 1 noname 0.0942 16 C10 -0.8255 -1.2688 1.2255 C.2 1 noname 0.0624 17 C11 -0.1333 1.0490 1.1117 C.2 1 noname 0.0648 18 C12 0.5756 2.2011 1.5040 C.2 1 noname 0.0734 19 N3 -0.9781 -2.5861 1.6124 N.2 1 noname -0.2170 20 C13 -1.6979 -0.9340 0.1154 C.2 1 noname 0.0390 21 C14 -1.0095 1.2933 0.0235 C.2 1 noname 0.0545 22 O2 0.5193 3.3638 1.0288 O.2 1 noname -0.2844 23 C15 -1.8422 -3.5194 1.0591 C.2 1 noname 0.0259 24 N4 -1.7610 0.2871 -0.4343 N.2 1 noname -0.2228 25 C16 -2.5887 -1.8293 -0.5157 C.2 1 noname 0.0086 26 C17 -1.9097 -4.8482 1.5659 C.2 1 noname -0.0281 27 C18 -2.6626 -3.1349 -0.0327 C.2 1 noname -0.0024 28 C19 -2.0396 -5.0518 2.9692 C.2 1 noname 0.0164 29 C20 -1.8411 -6.0001 0.7174 C.2 1 noname -0.0089 30 N5 -1.9574 -6.3143 3.4945 N.2 1 noname -0.2488 31 C21 -1.8418 -7.2816 1.2826 C.2 1 noname -0.0053 32 C22 -1.8231 -7.3905 2.6661 C.2 1 noname 0.0663 33 C23 -1.7951 -8.5535 0.7257 C.2 1 noname -0.0325 34 N6 -1.6924 -8.6874 2.9702 N.3 1 noname -0.0411 35 C24 -1.6774 -9.4045 1.8227 C.2 1 noname -0.1141 36 H1 0.0908 -2.9735 2.9844 H 1 noname 0.0645 37 H2 2.5404 -4.3285 6.2920 H 1 noname 0.0628 38 H3 3.5542 -2.0133 6.5605 H 1 noname 0.0623 39 H4 2.8075 -0.3050 5.0001 H 1 noname 0.0639 40 H5 1.9418 2.9088 2.7850 H 1 noname 0.1418 41 H6 -1.1063 2.2628 -0.4652 H 1 noname 0.0848 42 H7 -3.2066 -1.5189 -1.3583 H 1 noname 0.0646 43 H8 -3.3486 -3.8415 -0.4998 H 1 noname 0.0646 44 H9 -2.2058 -4.2225 3.6569 H 1 noname 0.0847 45 H10 -1.7878 -5.9007 -0.3668 H 1 noname 0.0637 46 H11 -1.8405 -8.8222 -0.3297 H 1 noname 0.0643 47 H12 -1.6180 -9.0611 3.9056 H 1 noname 0.1537 48 H13 -1.5854 -10.4900 1.7877 H 1 noname 0.0789 @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 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 10 13 1 14 12 14 2 15 12 15 1 16 13 16 1 17 13 17 2 18 15 18 1 19 16 19 2 20 16 20 1 21 17 21 1 22 17 18 1 23 18 22 2 24 19 23 1 25 20 24 1 26 20 25 2 27 21 24 2 28 23 26 1 29 23 27 2 30 25 27 1 31 26 28 2 32 26 29 1 33 28 30 1 34 29 31 2 35 30 32 2 36 31 33 1 37 31 32 1 38 32 34 1 39 33 35 2 40 34 35 1 41 6 36 1 42 7 37 1 43 9 38 1 44 11 39 1 45 15 40 1 46 21 41 1 47 25 42 1 48 27 43 1 49 28 44 1 50 29 45 1 51 33 46 1 52 34 47 1 53 35 48 1 @SUBSTRUCTURE 1 noname 1