@MOLECULE 125484 51 53 1 SMALL USER_CHARGES @ATOM 1 F1 4.9267 -4.9404 -2.0421 F 1 noname -0.1659 2 C1 5.3974 -3.7537 -1.5421 C.3 1 noname 0.4202 3 F2 6.7682 -3.7729 -1.5338 F 1 noname -0.1659 4 F3 4.9596 -2.7203 -2.3295 F 1 noname -0.1659 5 C2 4.9050 -3.5701 -0.1799 C.2 1 noname 0.0498 6 C3 5.1993 -4.4915 0.8702 C.2 1 noname 0.0665 7 C4 4.0919 -2.4522 0.1982 C.2 1 noname 0.0075 8 O1 5.9596 -5.5746 0.6033 O.3 1 noname -0.2414 9 N1 4.7252 -4.3009 2.1499 N.2 1 noname -0.2192 10 C5 3.5954 -2.2503 1.5333 C.2 1 noname -0.0011 11 C6 5.2196 -6.7534 0.8848 C.3 1 noname 0.0440 12 C7 3.9494 -3.2252 2.4900 C.2 1 noname 0.0105 13 N2 2.8213 -1.1608 1.8355 N.3 1 noname 0.0141 14 C8 2.1161 -0.4756 2.8170 C.2 1 noname 0.0637 15 N3 1.6256 0.5999 2.1239 N.2 1 noname -0.2441 16 C9 1.7869 -0.5742 4.2361 C.2 1 noname 0.0146 17 C10 0.8509 1.5909 2.6543 C.2 1 noname 0.0221 18 C11 2.1252 -1.5419 5.2329 C.2 1 noname 0.0827 19 C12 0.9715 0.4825 4.7631 C.2 1 noname 0.0078 20 C13 0.4927 1.5638 4.0143 C.2 1 noname -0.0224 21 N4 1.6826 -1.4100 6.5333 N.2 1 noname -0.2171 22 N5 2.8895 -2.6235 4.9481 N.2 1 noname -0.2385 23 C14 -0.3342 2.6077 4.6127 C.3 1 noname 0.0856 24 C15 1.9881 -2.3109 7.4958 C.2 1 noname 0.0964 25 C16 3.2187 -3.5514 5.8865 C.2 1 noname 0.0686 26 O2 -1.5216 2.0298 5.1349 O.3 1 noname -0.3856 27 C17 0.4415 3.2878 5.7426 C.3 1 noname -0.0320 28 C18 -0.6973 3.6441 3.5474 C.3 1 noname -0.0320 29 N6 2.7587 -3.3769 7.1522 N.2 1 noname -0.2273 30 N7 1.5440 -2.1568 8.7506 N.3 1 noname -0.0771 31 C19 4.0449 -4.7047 5.5420 C.3 1 noname 0.0696 32 H1 3.8386 -1.7192 -0.5677 H 1 noname 0.0647 33 H2 5.1386 -6.8825 1.9641 H 1 noname 0.0535 34 H3 4.2223 -6.6681 0.4532 H 1 noname 0.0535 35 H4 5.7298 -7.6145 0.4532 H 1 noname 0.0535 36 H5 3.6132 -3.1450 3.5237 H 1 noname 0.0857 37 H6 2.7338 -0.6462 0.9708 H 1 noname 0.1358 38 H7 0.5214 2.3964 1.9981 H 1 noname 0.0843 39 H8 0.6935 0.4623 5.8169 H 1 noname 0.0635 40 H9 -1.4899 2.0452 6.0942 H 1 noname 0.2112 41 H10 0.8843 2.5288 6.3875 H 1 noname 0.0263 42 H11 1.2301 3.9096 5.3188 H 1 noname 0.0263 43 H12 -0.2372 3.9096 6.3263 H 1 noname 0.0263 44 H13 -1.0200 4.5656 4.0321 H 1 noname 0.0263 45 H14 0.1747 3.8468 2.9256 H 1 noname 0.0263 46 H15 -1.5052 3.2584 2.9256 H 1 noname 0.0263 47 H16 2.2012 -2.0987 9.5154 H 1 noname 0.1273 48 H17 0.5521 -2.0987 8.9318 H 1 noname 0.1273 49 H18 4.3918 -5.1889 6.4549 H 1 noname 0.0312 50 H19 3.4564 -5.4115 4.9570 H 1 noname 0.0312 51 H20 4.9034 -4.3749 4.9570 H 1 noname 0.0312 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 8 11 1 11 9 12 2 12 10 13 1 13 10 12 1 14 13 14 1 15 14 15 2 16 14 16 1 17 15 17 1 18 16 18 1 19 16 19 2 20 17 20 2 21 18 21 2 22 18 22 1 23 19 20 1 24 20 23 1 25 21 24 1 26 22 25 2 27 23 26 1 28 23 27 1 29 23 28 1 30 24 29 2 31 24 30 1 32 25 31 1 33 25 29 1 34 7 32 1 35 11 33 1 36 11 34 1 37 11 35 1 38 12 36 1 39 13 37 1 40 17 38 1 41 19 39 1 42 26 40 1 43 27 41 1 44 27 42 1 45 27 43 1 46 28 44 1 47 28 45 1 48 28 46 1 49 30 47 1 50 30 48 1 51 31 49 1 52 31 50 1 53 31 51 1 @SUBSTRUCTURE 1 noname 1