@MOLECULE 50300074 57 61 1 SMALL USER_CHARGES @ATOM 1 F1 2.0916 -3.3959 2.7970 F 1 noname -0.1691 2 C1 1.2732 -2.3146 2.5957 C.3 1 noname 0.4059 3 F2 1.0353 -1.6922 3.7939 F 1 noname -0.1691 4 F3 0.0853 -2.7348 2.0553 F 1 noname -0.1691 5 C2 1.9509 -1.3335 1.6370 C.3 1 noname 0.0427 6 N1 1.1092 -0.2214 1.4300 N.3 1 noname 0.0499 7 N2 1.1021 0.8721 2.1383 N.2 1 noname -0.2868 8 C3 0.1816 -0.1088 0.4730 C.2 1 noname 0.1133 9 C4 0.1875 1.7597 1.6960 C.2 1 noname 0.0338 10 N3 -0.2257 -0.9781 -0.4954 N.2 1 noname -0.2422 11 C5 -0.4123 1.1390 0.6045 C.2 1 noname -0.0161 12 C6 -1.2283 -0.6363 -1.3685 C.2 1 noname 0.0747 13 C7 -1.4361 1.5061 -0.2894 C.2 1 noname 0.0578 14 N4 -1.7733 0.5912 -1.2342 N.2 1 noname -0.2578 15 C8 -1.7623 -1.4864 -2.3809 C.2 1 noname -0.0180 16 N5 -2.1928 2.6322 -0.2744 N.3 1 noname -0.0868 17 C9 -2.8520 -1.0550 -3.2382 C.2 1 noname -0.0118 18 C10 -1.1771 -2.7847 -2.4761 C.2 1 noname -0.0118 19 C11 -1.7103 3.8350 -0.9180 C.3 1 noname 0.0281 20 C12 -3.5348 2.4805 0.2343 C.3 1 noname 0.0281 21 C13 -3.3598 -1.9330 -4.2192 C.2 1 noname -0.0218 22 C14 -1.6889 -3.6687 -3.4430 C.2 1 noname -0.0218 23 C15 -2.8491 4.5641 -1.7033 C.3 1 noname 0.0599 24 C16 -4.4965 2.7565 -0.9582 C.3 1 noname 0.0599 25 C17 -2.7699 -3.2245 -4.3095 C.2 1 noname -0.0033 26 O1 -4.0865 3.8054 -1.8904 O.3 1 noname -0.3786 27 N6 -3.3228 -3.9586 -5.3043 N.3 1 noname -0.1234 28 C18 -2.5206 -4.9095 -5.9336 C.2 1 noname 0.1210 29 O2 -1.3140 -4.9538 -5.6102 O.2 1 noname -0.2543 30 N7 -2.9653 -5.8169 -6.8992 N.3 1 noname -0.1180 31 C19 -2.0611 -6.6991 -7.4124 C.2 1 noname 0.0128 32 C20 -2.5940 -7.5561 -8.4151 C.2 1 noname 0.0221 33 C21 -0.6658 -6.8565 -7.0661 C.2 1 noname -0.0159 34 N8 -1.7335 -8.4574 -8.9658 N.2 1 noname -0.2473 35 C22 0.2203 -7.7960 -7.6446 C.2 1 noname -0.0194 36 C23 -0.4090 -8.6008 -8.6322 C.2 1 noname -0.0041 37 H1 2.8385 -0.9359 2.1292 H 1 noname 0.0585 38 H2 2.0374 -1.8151 0.6630 H 1 noname 0.0585 39 H3 -0.0178 2.7430 2.1193 H 1 noname 0.0865 40 H4 -3.2930 -0.0627 -3.1445 H 1 noname 0.0630 41 H5 -0.3588 -3.0937 -1.8257 H 1 noname 0.0630 42 H6 -1.4023 4.4862 -0.0999 H 1 noname 0.0459 43 H7 -0.9757 3.4885 -1.6449 H 1 noname 0.0459 44 H8 -3.6324 1.4343 0.5244 H 1 noname 0.0459 45 H9 -3.6680 3.2668 0.9773 H 1 noname 0.0459 46 H10 -4.1721 -1.6269 -4.8784 H 1 noname 0.0639 47 H11 -1.2605 -4.6682 -3.5185 H 1 noname 0.0639 48 H12 -3.1518 5.4169 -1.0957 H 1 noname 0.0580 49 H13 -2.4797 4.7207 -2.7167 H 1 noname 0.0580 50 H14 -4.5054 1.8518 -1.5661 H 1 noname 0.0580 51 H15 -5.4245 3.1334 -0.5282 H 1 noname 0.0580 52 H16 -4.2866 -3.8045 -5.5642 H 1 noname 0.1385 53 H17 -3.9227 -5.8348 -7.2202 H 1 noname 0.1385 54 H18 -3.6304 -7.5231 -8.7512 H 1 noname 0.0856 55 H19 -0.2434 -6.2077 -6.2989 H 1 noname 0.0640 56 H20 1.2688 -7.8892 -7.3615 H 1 noname 0.0639 57 H21 0.1542 -9.3689 -9.1621 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 8 10 2 10 8 11 1 11 9 11 1 12 10 12 1 13 11 13 2 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 9 39 1 44 17 40 1 45 18 41 1 46 19 42 1 47 19 43 1 48 20 44 1 49 20 45 1 50 21 46 1 51 22 47 1 52 23 48 1 53 23 49 1 54 24 50 1 55 24 51 1 56 27 52 1 57 30 53 1 58 32 54 1 59 33 55 1 60 35 56 1 61 36 57 1 @SUBSTRUCTURE 1 noname 1