@MOLECULE 116138 65 68 1 SMALL USER_CHARGES @ATOM 1 F1 3.0745 -1.1295 3.0496 F 1 noname -0.1568 2 C1 1.8188 -0.7976 3.1252 C.2 1 noname 0.0676 3 C2 1.2947 -0.1322 4.2750 C.2 1 noname 0.0465 4 C3 0.9133 -1.0830 2.0657 C.2 1 noname 0.0321 5 C4 2.2101 0.3210 5.3371 C.2 1 noname 0.0324 6 C5 -0.0750 0.2340 4.4361 C.2 1 noname 0.0037 7 C6 -0.4747 -0.7206 2.1642 C.2 1 noname -0.0001 8 O1 2.3945 -0.3617 6.3679 O.2 1 noname -0.2913 9 N1 2.9090 1.6240 5.1379 N.3 1 noname -0.0633 10 C7 -0.9583 -0.0566 3.3631 C.2 1 noname -0.0216 11 C8 -1.4056 -1.0123 1.0921 C.2 1 noname 0.0476 12 C9 2.2416 2.6910 4.2900 C.3 1 noname 0.0190 13 C10 3.5000 2.0561 6.4367 C.3 1 noname 0.0190 14 N2 -2.4840 -0.1591 1.0218 N.2 1 noname -0.2222 15 C11 -1.3251 -2.0984 0.1439 C.2 1 noname 0.0406 16 C12 1.7212 3.9489 5.0421 C.3 1 noname 0.0119 17 C13 2.5664 2.9956 7.2694 C.3 1 noname 0.0119 18 C14 -3.5135 -0.2839 0.1368 C.2 1 noname 0.0454 19 C15 -0.3850 -3.0255 0.0192 C.1 1 noname -0.0101 20 C16 -2.4020 -2.2096 -0.7569 C.2 1 noname 0.0370 21 N3 1.4815 3.6695 6.4836 N.3 1 noname -0.2957 22 N4 -3.4406 -1.3286 -0.7363 N.2 1 noname -0.2309 23 C17 0.4541 -3.8808 -0.1257 C.1 1 noname -0.0269 24 C18 -2.4052 -3.2937 -1.7349 C.3 1 noname 0.0467 25 C19 1.0848 4.9035 7.1598 C.3 1 noname 0.0301 26 C20 1.3900 -4.8163 -0.2712 C.2 1 noname -0.0258 27 C21 -3.6419 -4.1691 -1.5219 C.3 1 noname -0.0597 28 C22 2.2921 5.8372 7.2669 C.3 1 noname 0.0585 29 C23 0.5691 4.5736 8.5620 C.3 1 noname -0.0473 30 C24 2.6095 -4.7298 0.4711 C.2 1 noname 0.0129 31 C25 1.2049 -5.9256 -1.1629 C.2 1 noname -0.0243 32 O2 1.9067 7.0358 7.9237 O.3 1 noname -0.3946 33 N5 3.5458 -5.7286 0.2839 N.2 1 noname -0.2633 34 C26 2.1859 -6.9455 -1.3401 C.2 1 noname -0.0315 35 C27 3.3750 -6.7990 -0.5722 C.2 1 noname 0.0173 36 N6 4.3462 -7.7158 -0.6816 N.3 1 noname -0.1209 37 H1 1.2857 -1.5831 1.1717 H 1 noname 0.0660 38 H2 -0.4332 0.7177 5.3449 H 1 noname 0.0631 39 H3 -2.0057 0.2295 3.4597 H 1 noname 0.0629 40 H4 3.0272 3.0480 3.6241 H 1 noname 0.0449 41 H5 1.3570 2.2052 3.8781 H 1 noname 0.0449 42 H6 3.6164 1.1377 7.0120 H 1 noname 0.0449 43 H7 4.3767 2.6439 6.1650 H 1 noname 0.0449 44 H8 2.5204 4.6897 5.0183 H 1 noname 0.0444 45 H9 0.7429 4.1891 4.6258 H 1 noname 0.0444 46 H10 2.0396 2.3567 7.9781 H 1 noname 0.0444 47 H11 3.1934 3.8102 7.6317 H 1 noname 0.0444 48 H12 -4.3504 0.4144 0.1278 H 1 noname 0.1061 49 H13 -2.5032 -2.8172 -2.7103 H 1 noname 0.0329 50 H14 -1.5288 -3.9019 -1.5110 H 1 noname 0.0329 51 H15 0.2984 5.3588 6.5578 H 1 noname 0.0488 52 H16 -3.8188 -4.2943 -0.4537 H 1 noname 0.0234 53 H17 -4.5081 -3.6918 -1.9802 H 1 noname 0.0234 54 H18 -3.4797 -5.1447 -1.9802 H 1 noname 0.0234 55 H19 3.0244 5.3682 7.9240 H 1 noname 0.0579 56 H20 2.5776 6.1370 6.2586 H 1 noname 0.0579 57 H21 0.5232 3.4918 8.6870 H 1 noname 0.0247 58 H22 1.2437 4.9970 9.3061 H 1 noname 0.0247 59 H23 -0.4269 4.9970 8.6918 H 1 noname 0.0247 60 H24 2.8213 -3.9177 1.1667 H 1 noname 0.0853 61 H25 0.2775 -5.9969 -1.7311 H 1 noname 0.0637 62 H26 1.9480 6.9074 8.8742 H 1 noname 0.2100 63 H27 2.0361 -7.7843 -2.0198 H 1 noname 0.0656 64 H28 4.1118 -8.6973 -0.7228 H 1 noname 0.1257 65 H29 5.3126 -7.4252 -0.7228 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 15 19 1 20 15 20 2 21 16 21 1 22 17 21 1 23 18 22 2 24 19 23 3 25 20 24 1 26 20 22 1 27 25 21 1 28 23 26 1 29 24 27 1 30 25 28 1 31 25 29 1 32 26 30 2 33 26 31 1 34 28 32 1 35 30 33 1 36 31 34 2 37 33 35 2 38 34 35 1 39 35 36 1 40 4 37 1 41 6 38 1 42 10 39 1 43 12 40 1 44 12 41 1 45 13 42 1 46 13 43 1 47 16 44 1 48 16 45 1 49 17 46 1 50 17 47 1 51 18 48 1 52 24 49 1 53 24 50 1 54 25 51 1 55 27 52 1 56 27 53 1 57 27 54 1 58 28 55 1 59 28 56 1 60 29 57 1 61 29 58 1 62 29 59 1 63 30 60 1 64 31 61 1 65 32 62 1 66 34 63 1 67 36 64 1 68 36 65 1 @SUBSTRUCTURE 1 noname 1