@MOLECULE 172301 62 65 1 SMALL USER_CHARGES @ATOM 1 F1 5.7001 -1.1102 2.3300 F 1 noname -0.1570 2 C1 4.4130 -1.0622 2.5140 C.2 1 noname 0.0637 3 C2 3.8416 -0.4077 3.6527 C.2 1 noname 0.0393 4 C3 3.5052 -1.6579 1.5929 C.2 1 noname 0.0195 5 C4 4.6394 0.3741 4.6181 C.2 1 noname 0.0311 6 C5 2.4492 -0.4058 3.9466 C.2 1 noname -0.0003 7 C6 2.0568 -1.6130 1.7990 C.2 1 noname -0.0104 8 O1 4.3216 0.4075 5.8265 O.2 1 noname -0.2914 9 N1 5.8122 1.1112 4.1335 N.3 1 noname -0.0634 10 C7 1.5716 -1.0089 3.0096 C.2 1 noname -0.0350 11 C8 1.0910 -2.1330 0.8101 C.2 1 noname -0.0056 12 C9 6.7293 1.5709 5.1971 C.3 1 noname 0.0189 13 C10 5.8464 1.9266 2.8848 C.3 1 noname 0.0189 14 C11 -0.2701 -2.5799 1.0811 C.2 1 noname 0.0128 15 C12 1.5657 -2.1855 -0.5428 C.2 1 noname -0.0214 16 C13 8.1099 1.1061 4.6731 C.3 1 noname 0.0116 17 C14 7.2120 1.5369 2.2452 C.3 1 noname 0.0116 18 C15 -0.9277 -2.5696 2.2271 C.1 1 noname -0.0197 19 C16 -1.0517 -3.1147 0.0299 C.2 1 noname 0.0203 20 C17 0.7493 -2.7194 -1.5664 C.2 1 noname -0.0096 21 N2 8.3509 1.4686 3.2284 N.3 1 noname -0.3009 22 C18 -1.5716 -2.5724 3.2480 C.1 1 noname -0.0302 23 N3 -0.5030 -3.1617 -1.2212 N.2 1 noname -0.2600 24 C19 -2.4059 -3.6025 0.2745 C.3 1 noname 0.0381 25 C20 9.4139 0.6247 2.6850 C.3 1 noname -0.0045 26 C21 -2.2653 -2.5700 4.3880 C.2 1 noname -0.0362 27 C22 10.6986 0.8431 3.4867 C.3 1 noname -0.0524 28 C23 -1.7299 -1.9225 5.5452 C.2 1 noname 0.0136 29 C24 -3.5453 -3.2089 4.4916 C.2 1 noname -0.0279 30 N4 -2.4882 -1.9532 6.7026 N.2 1 noname -0.2744 31 C25 -0.4323 -1.2543 5.5071 C.3 1 noname 0.0383 32 C26 -4.3104 -3.2285 5.6956 C.2 1 noname -0.0443 33 C27 -3.7192 -2.5655 6.8080 C.2 1 noname 0.0140 34 N5 -4.3707 -2.5360 7.9786 N.3 1 noname -0.1210 35 H1 3.9247 -2.1550 0.7183 H 1 noname 0.0660 36 H2 2.0661 0.0443 4.8625 H 1 noname 0.0631 37 H3 0.5030 -1.0081 3.2241 H 1 noname 0.0629 38 H4 6.7031 2.6606 5.2054 H 1 noname 0.0449 39 H5 6.4889 1.0131 6.1022 H 1 noname 0.0449 40 H6 5.0431 1.5707 2.2397 H 1 noname 0.0449 41 H7 5.8843 2.9752 3.1799 H 1 noname 0.0449 42 H8 2.5590 -1.8151 -0.7963 H 1 noname 0.0645 43 H9 8.8579 1.6598 5.2406 H 1 noname 0.0444 44 H10 8.1003 0.0166 4.7020 H 1 noname 0.0444 45 H11 7.0980 0.5199 1.8699 H 1 noname 0.0444 46 H12 7.4740 2.3441 1.5611 H 1 noname 0.0444 47 H13 1.0794 -2.7888 -2.6029 H 1 noname 0.0839 48 H14 -2.5809 -3.6656 1.3485 H 1 noname 0.0296 49 H15 -3.1255 -2.9158 -0.1712 H 1 noname 0.0296 50 H16 -2.5222 -4.5904 -0.1712 H 1 noname 0.0296 51 H17 9.0943 -0.4043 2.8501 H 1 noname 0.0427 52 H18 9.5937 0.9836 1.6716 H 1 noname 0.0427 53 H19 10.4728 0.8047 4.5524 H 1 noname 0.0243 54 H20 11.4183 0.0627 3.2395 H 1 noname 0.0243 55 H21 11.1199 1.8175 3.2395 H 1 noname 0.0243 56 H22 -3.9568 -3.7041 3.6121 H 1 noname 0.0637 57 H23 -0.0856 -1.0758 6.5250 H 1 noname 0.0296 58 H24 0.2862 -1.8854 4.9840 H 1 noname 0.0296 59 H25 -0.5287 -0.3029 4.9840 H 1 noname 0.0296 60 H26 -5.2823 -3.7175 5.7612 H 1 noname 0.0656 61 H27 -3.8519 -2.5248 8.8451 H 1 noname 0.1257 62 H28 -5.3805 -2.5248 7.9944 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 1 13 9 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 13 17 1 18 14 18 1 19 14 19 1 20 15 20 2 21 16 21 1 22 17 21 1 23 18 22 3 24 19 23 2 25 19 24 1 26 20 23 1 27 21 25 1 28 22 26 1 29 25 27 1 30 26 28 2 31 26 29 1 32 28 30 1 33 28 31 1 34 29 32 2 35 30 33 2 36 32 33 1 37 33 34 1 38 4 35 1 39 6 36 1 40 10 37 1 41 12 38 1 42 12 39 1 43 13 40 1 44 13 41 1 45 15 42 1 46 16 43 1 47 16 44 1 48 17 45 1 49 17 46 1 50 20 47 1 51 24 48 1 52 24 49 1 53 24 50 1 54 25 51 1 55 25 52 1 56 27 53 1 57 27 54 1 58 27 55 1 59 29 56 1 60 31 57 1 61 31 58 1 62 31 59 1 63 32 60 1 64 34 61 1 65 34 62 1 @SUBSTRUCTURE 1 noname 1