@MOLECULE 172237 58 60 1 SMALL USER_CHARGES @ATOM 1 F1 2.0742 3.6693 0.3175 F 1 noname -0.1573 2 C1 1.4866 2.5256 0.1195 C.2 1 noname 0.0627 3 C2 2.3019 1.3800 -0.1403 C.2 1 noname 0.0421 4 C3 0.0662 2.4787 0.1726 C.2 1 noname 0.0096 5 C4 3.6881 1.4729 -0.1829 C.2 1 noname 0.0305 6 C5 1.6287 0.1286 -0.3556 C.2 1 noname 0.0119 7 C6 -0.5488 1.2204 -0.0466 C.2 1 noname -0.0144 8 O1 4.3760 0.4547 -0.4123 O.2 1 noname -0.2916 9 N1 4.2871 2.6540 0.0219 N.3 1 noname -0.0664 10 C7 0.1815 -0.0041 -0.3182 C.2 1 noname -0.0286 11 C8 5.6933 2.7482 -0.0213 C.3 1 noname 0.0186 12 C9 3.5112 3.8025 0.2805 C.3 1 noname -0.0054 13 C10 -0.5344 -1.2920 -0.5387 C.2 1 noname -0.0060 14 C11 6.1399 3.0589 -1.4513 C.3 1 noname 0.0109 15 C12 -1.9909 -1.4602 -0.5067 C.2 1 noname 0.0107 16 C13 0.2387 -2.4898 -0.8070 C.2 1 noname -0.0233 17 N2 7.5980 3.1566 -1.4961 N.3 1 noname -0.3080 18 C14 -2.8490 -0.5091 -0.2818 C.1 1 noname -0.0200 19 C15 -2.6206 -2.7154 -0.7257 C.2 1 noname 0.0199 20 C16 -0.4261 -3.7210 -1.0186 C.2 1 noname -0.0099 21 C17 8.0247 3.4536 -2.8626 C.3 1 noname -0.0136 22 C18 8.1848 1.8882 -1.0671 C.3 1 noname -0.0136 23 C19 -3.5127 0.4624 -0.0674 C.1 1 noname -0.0287 24 N3 -1.7967 -3.7779 -0.9698 N.2 1 noname -0.2620 25 C20 -4.0729 -2.8620 -0.6916 C.3 1 noname 0.0381 26 C21 -4.1117 1.5811 0.1643 C.2 1 noname -0.0258 27 C22 -4.5183 2.4125 -0.9136 C.2 1 noname 0.0129 28 C23 -4.4324 1.9674 1.5045 C.2 1 noname -0.0244 29 N4 -5.2692 3.5247 -0.6101 N.2 1 noname -0.2633 30 C24 -5.2113 3.1260 1.7968 C.2 1 noname -0.0315 31 C25 -5.6288 3.8869 0.6750 C.2 1 noname 0.0172 32 N5 -6.3853 4.9767 0.8640 N.3 1 noname -0.1209 33 H1 -0.5270 3.3709 0.3731 H 1 noname 0.0653 34 H2 2.2384 -0.7527 -0.5548 H 1 noname 0.0638 35 H3 -1.6377 1.1932 -0.0042 H 1 noname 0.0630 36 H4 5.9446 3.6031 0.6065 H 1 noname 0.0449 37 H5 6.0572 1.7545 0.2399 H 1 noname 0.0449 38 H6 3.4168 3.9422 1.3574 H 1 noname 0.0399 39 H7 3.9959 4.6748 -0.1579 H 1 noname 0.0399 40 H8 2.5210 3.6784 -0.1579 H 1 noname 0.0399 41 H9 5.8773 2.2018 -2.0714 H 1 noname 0.0443 42 H10 5.7647 4.0504 -1.7048 H 1 noname 0.0443 43 H11 1.3276 -2.4646 -0.8499 H 1 noname 0.0645 44 H12 0.1255 -4.6388 -1.2222 H 1 noname 0.0839 45 H13 8.1930 2.5211 -3.4014 H 1 noname 0.0394 46 H14 7.2502 4.0305 -3.3678 H 1 noname 0.0394 47 H15 8.9492 4.0305 -2.8372 H 1 noname 0.0394 48 H16 8.2040 1.8466 0.0220 H 1 noname 0.0394 49 H17 7.5862 1.0624 -1.4517 H 1 noname 0.0394 50 H18 9.2017 1.8097 -1.4517 H 1 noname 0.0394 51 H19 -4.4104 -2.8960 0.3443 H 1 noname 0.0296 52 H20 -4.5356 -2.0142 -1.1968 H 1 noname 0.0296 53 H21 -4.3568 -3.7851 -1.1968 H 1 noname 0.0296 54 H22 -4.2597 2.2017 -1.9513 H 1 noname 0.0853 55 H23 -4.0705 1.3575 2.3321 H 1 noname 0.0637 56 H24 -5.4717 3.4125 2.8157 H 1 noname 0.0656 57 H25 -5.9520 5.8862 0.9352 H 1 noname 0.1257 58 H26 -7.3890 4.8885 0.9352 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 10 1 11 9 11 1 12 9 12 1 13 10 13 1 14 11 14 1 15 13 15 2 16 13 16 1 17 14 17 1 18 15 18 1 19 15 19 1 20 16 20 2 21 17 21 1 22 17 22 1 23 18 23 3 24 19 24 2 25 19 25 1 26 20 24 1 27 23 26 1 28 26 27 2 29 26 28 1 30 27 29 1 31 28 30 2 32 29 31 2 33 30 31 1 34 31 32 1 35 4 33 1 36 6 34 1 37 7 35 1 38 11 36 1 39 11 37 1 40 12 38 1 41 12 39 1 42 12 40 1 43 14 41 1 44 14 42 1 45 16 43 1 46 20 44 1 47 21 45 1 48 21 46 1 49 21 47 1 50 22 48 1 51 22 49 1 52 22 50 1 53 25 51 1 54 25 52 1 55 25 53 1 56 27 54 1 57 28 55 1 58 30 56 1 59 32 57 1 60 32 58 1 @SUBSTRUCTURE 1 noname 1