@MOLECULE DB07081 46 48 1 SMALL USER_CHARGES @ATOM 1 F1 -7.8538 -2.5839 7.3034 F 1 noname -0.1491 2 C1 -6.8368 -2.2227 6.5769 C.2 1 noname 0.0861 3 C2 -5.9035 -1.3263 7.0844 C.2 1 noname 0.0669 4 C3 -6.6835 -2.7331 5.2931 C.2 1 noname 0.0585 5 F2 -6.0470 -0.8486 8.2860 F 1 noname -0.1524 6 C4 -4.8170 -0.9404 6.3082 C.2 1 noname 0.0275 7 C5 -5.5969 -2.3471 4.5169 C.2 1 noname 0.0387 8 C6 -4.6637 -1.4508 5.0245 C.2 1 noname 0.0106 9 F3 -5.4534 -2.8249 3.3153 F 1 noname -0.1632 10 C7 -3.5223 -1.0454 4.2092 C.3 1 noname -0.0091 11 C8 -3.5910 -1.7467 2.8511 C.3 1 noname 0.0164 12 N1 -3.5591 -3.1950 3.0483 N.3 1 noname -0.3269 13 C9 -2.3950 -1.3219 1.9967 C.3 1 noname 0.0369 14 C10 -2.4605 -1.9911 0.7008 C.2 1 noname 0.0460 15 O1 -3.4033 -2.7718 0.4474 O.2 1 noname -0.2941 16 N2 -1.5099 -1.7684 -0.2171 N.3 1 noname -0.0614 17 C11 -0.0979 -1.4323 0.1473 C.3 1 noname 0.0718 18 C12 -1.7770 -1.8362 -1.6947 C.3 1 noname 0.0244 19 C13 0.3050 -0.2153 -0.6093 C.2 1 noname 0.0184 20 C14 0.8182 -2.5967 -0.2344 C.3 1 noname -0.0420 21 C15 -1.3606 -0.5307 -2.4550 C.3 1 noname 0.0493 22 N3 1.2471 0.6654 -0.2680 N.2 1 noname -0.1523 23 N4 -0.2985 0.1686 -1.7561 N.3 1 noname 0.0336 24 C16 1.2109 1.6265 -1.2134 C.2 1 noname 0.1311 25 N5 0.2410 1.2987 -2.1063 N.2 1 noname -0.2118 26 C17 2.0636 2.8104 -1.2677 C.3 1 noname 0.4528 27 F4 2.7846 2.8011 -2.4338 F 1 noname -0.1631 28 F5 1.2843 3.9374 -1.2212 F 1 noname -0.1631 29 F6 2.9226 2.8042 -0.1992 F 1 noname -0.1631 30 H1 -7.4154 -3.4360 4.8951 H 1 noname 0.0685 31 H2 -4.0851 -0.2375 6.7063 H 1 noname 0.0658 32 H3 -3.6436 0.0236 4.0342 H 1 noname 0.0333 33 H4 -2.6375 -1.4161 4.7267 H 1 noname 0.0333 34 H5 -4.5277 -1.5139 2.3447 H 1 noname 0.0470 35 H6 -4.4226 -3.7145 3.1164 H 1 noname 0.1187 36 H7 -2.6736 -3.6760 3.1164 H 1 noname 0.1187 37 H8 -2.4999 -0.2569 1.7898 H 1 noname 0.0377 38 H9 -1.4939 -1.6965 2.4823 H 1 noname 0.0377 39 H10 -0.0318 -1.2307 1.2165 H 1 noname 0.0550 40 H11 -1.1341 -2.6347 -2.0651 H 1 noname 0.0453 41 H12 -2.8598 -1.9216 -1.7860 H 1 noname 0.0453 42 H13 1.1943 -3.0747 0.6701 H 1 noname 0.0251 43 H14 0.2571 -3.3228 -0.8226 H 1 noname 0.0251 44 H15 1.6560 -2.2222 -0.8226 H 1 noname 0.0251 45 H16 -0.9236 -0.8265 -3.4087 H 1 noname 0.0504 46 H17 -2.2099 0.1521 -2.4330 H 1 noname 0.0504 @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 6 8 2 8 7 9 1 9 7 8 1 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 13 14 1 15 14 15 2 16 14 16 1 17 16 17 1 18 16 18 1 19 17 19 1 20 17 20 1 21 18 21 1 22 19 22 2 23 19 23 1 24 21 23 1 25 22 24 1 26 23 25 1 27 24 26 1 28 24 25 2 29 26 27 1 30 26 28 1 31 26 29 1 32 4 30 1 33 6 31 1 34 10 32 1 35 10 33 1 36 11 34 1 37 12 35 1 38 12 36 1 39 13 37 1 40 13 38 1 41 17 39 1 42 18 40 1 43 18 41 1 44 20 42 1 45 20 43 1 46 20 44 1 47 21 45 1 48 21 46 1 @SUBSTRUCTURE 1 noname 1