@MOLECULE 50315747 58 62 1 SMALL USER_CHARGES @ATOM 1 F1 1.1887 -1.9769 4.1752 F 1 noname -0.1692 2 C1 1.1410 -2.0492 2.8069 C.3 1 noname 0.4043 3 F2 1.9712 -3.0502 2.3730 F 1 noname -0.1692 4 F3 -0.1434 -2.3155 2.4079 F 1 noname -0.1692 5 C2 1.5944 -0.7157 2.2096 C.3 1 noname 0.0078 6 N1 1.5453 -0.7900 0.8024 N.3 1 noname -0.0026 7 C3 2.5417 -1.1873 0.0003 C.2 1 noname 0.0872 8 C4 0.4852 -0.4732 0.0276 C.2 1 noname -0.1009 9 N2 3.7954 -1.6350 0.3038 N.2 1 noname -0.2566 10 C5 2.1136 -1.1084 -1.3216 C.2 1 noname -0.0385 11 C6 0.7951 -0.6645 -1.3229 C.2 1 noname -0.0283 12 C7 4.6712 -2.0079 -0.6866 C.2 1 noname 0.0640 13 C8 3.0058 -1.4861 -2.3432 C.2 1 noname 0.0416 14 N3 4.2391 -1.8998 -1.9635 N.2 1 noname -0.2673 15 C9 5.9848 -2.5304 -0.4683 C.2 1 noname -0.0181 16 N4 2.7514 -1.5791 -3.6714 N.3 1 noname -0.0896 17 C10 6.8224 -2.9500 -1.5761 C.2 1 noname -0.0124 18 C11 6.4017 -2.6289 0.8885 C.2 1 noname -0.0124 19 C12 2.8861 -0.4150 -4.5252 C.3 1 noname 0.0281 20 C13 2.5445 -2.9182 -4.1760 C.3 1 noname 0.0281 21 C14 8.1112 -3.4709 -1.3208 C.2 1 noname -0.0219 22 C15 7.6682 -3.1563 1.1499 C.2 1 noname -0.0219 23 C16 3.5502 -0.7772 -5.8904 C.3 1 noname 0.0599 24 C17 3.7188 -3.2144 -5.1491 C.3 1 noname 0.0599 25 C18 8.5172 -3.5623 0.0405 C.2 1 noname -0.0039 26 O1 4.1709 -2.0964 -5.9761 O.3 1 noname -0.3786 27 N5 9.7743 -4.0598 0.1587 N.3 1 noname -0.1235 28 C19 10.5257 -3.6472 1.2576 C.2 1 noname 0.1203 29 O2 10.0199 -2.7809 2.0033 O.2 1 noname -0.2544 30 N6 11.8074 -4.1236 1.5996 N.3 1 noname -0.1231 31 C20 12.4194 -3.6324 2.7177 C.2 1 noname -0.0014 32 C21 13.7275 -4.1904 2.9066 C.2 1 noname -0.0005 33 C22 11.8364 -2.6482 3.6376 C.2 1 noname -0.0005 34 C23 14.4530 -3.7383 4.0498 C.2 1 noname 0.0047 35 C24 12.5846 -2.2260 4.7559 C.2 1 noname 0.0047 36 N7 13.8246 -2.8097 4.8599 N.2 1 noname -0.2542 37 H1 0.8640 0.0454 2.4839 H 1 noname 0.0567 38 H2 2.6471 -0.5741 2.4545 H 1 noname 0.0567 39 H3 -0.4656 -0.1205 0.4271 H 1 noname 0.0792 40 H4 0.1505 -0.5031 -2.1870 H 1 noname 0.0644 41 H5 6.4808 -2.8732 -2.6083 H 1 noname 0.0630 42 H6 5.7635 -2.3067 1.7112 H 1 noname 0.0630 43 H7 1.8640 -0.0960 -4.7295 H 1 noname 0.0459 44 H8 3.5677 0.2478 -3.9920 H 1 noname 0.0459 45 H9 2.6307 -3.5834 -3.3169 H 1 noname 0.0459 46 H10 1.6187 -2.8869 -4.7504 H 1 noname 0.0459 47 H11 8.7619 -3.7876 -2.1360 H 1 noname 0.0639 48 H12 7.9847 -3.2484 2.1889 H 1 noname 0.0639 49 H13 2.7479 -0.8158 -6.6273 H 1 noname 0.0580 50 H14 4.3820 -0.0859 -6.0261 H 1 noname 0.0580 51 H15 4.5831 -3.4516 -4.5287 H 1 noname 0.0580 52 H16 3.3482 -3.9439 -5.8692 H 1 noname 0.0580 53 H17 10.1313 -4.7025 -0.5338 H 1 noname 0.1385 54 H18 12.2873 -4.8169 1.0436 H 1 noname 0.1385 55 H19 14.1489 -4.9211 2.2163 H 1 noname 0.0655 56 H20 10.8415 -2.2282 3.4894 H 1 noname 0.0655 57 H21 15.4546 -4.0908 4.2962 H 1 noname 0.0839 58 H22 12.2297 -1.5003 5.4876 H 1 noname 0.0839 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 7 9 2 9 7 10 1 10 8 11 2 11 9 12 1 12 10 13 2 13 10 11 1 14 12 14 2 15 12 15 1 16 13 16 1 17 13 14 1 18 15 17 2 19 15 18 1 20 16 19 1 21 16 20 1 22 17 21 1 23 18 22 2 24 19 23 1 25 20 24 1 26 21 25 2 27 22 25 1 28 23 26 1 29 24 26 1 30 25 27 1 31 27 28 1 32 28 29 2 33 28 30 1 34 30 31 1 35 31 32 2 36 31 33 1 37 32 34 1 38 33 35 2 39 34 36 2 40 35 36 1 41 5 37 1 42 5 38 1 43 8 39 1 44 11 40 1 45 17 41 1 46 18 42 1 47 19 43 1 48 19 44 1 49 20 45 1 50 20 46 1 51 21 47 1 52 22 48 1 53 23 49 1 54 23 50 1 55 24 51 1 56 24 52 1 57 27 53 1 58 30 54 1 59 32 55 1 60 33 56 1 61 34 57 1 62 35 58 1 @SUBSTRUCTURE 1 noname 1