@MOLECULE DB07072 48 51 1 SMALL USER_CHARGES @ATOM 1 F1 5.3547 -0.8272 2.1185 F 1 noname -0.1503 2 C1 4.3224 -1.4697 1.6558 C.2 1 noname 0.0767 3 C2 3.5928 -2.3069 2.4919 C.2 1 noname 0.0644 4 C3 3.9490 -1.3191 0.3254 C.2 1 noname 0.0558 5 F2 3.9423 -2.4479 3.7371 F 1 noname -0.1525 6 C4 2.4899 -2.9934 1.9975 C.2 1 noname 0.0203 7 C5 2.8460 -2.0055 -0.1689 C.2 1 noname 0.0305 8 C6 2.1165 -2.8427 0.6671 C.2 1 noname 0.0092 9 F3 2.4965 -1.8645 -1.4142 F 1 noname -0.1641 10 C7 0.9580 -3.5637 0.1479 C.3 1 noname 0.0396 11 C8 1.4082 -4.4997 -1.0259 C.3 1 noname 0.0125 12 C9 -0.2150 -2.5657 -0.0802 C.3 1 noname -0.0433 13 N1 1.7331 -5.8232 -0.4966 N.3 1 noname -0.3270 14 C10 0.3699 -4.6419 -2.1783 C.3 1 noname -0.0216 15 C11 -0.3489 -2.1600 -1.5616 C.3 1 noname -0.0368 16 C12 -0.5628 -3.3910 -2.5432 C.3 1 noname 0.0117 17 N2 -2.0285 -3.6386 -2.8671 N.3 1 noname -0.2914 18 C13 -2.2935 -4.8457 -3.7226 C.3 1 noname 0.0570 19 C14 -2.7311 -2.3861 -3.4009 C.3 1 noname 0.0153 20 C15 -3.7671 -4.9809 -3.8048 C.2 1 noname 0.0233 21 C16 -4.1687 -2.5227 -3.9678 C.3 1 noname -0.0262 22 N3 -4.5168 -6.0759 -3.6745 N.2 1 noname -0.1478 23 N4 -4.5666 -3.9017 -3.9235 N.3 1 noname 0.0327 24 N5 -5.7473 -5.6712 -3.7278 N.2 1 noname -0.1273 25 C17 -5.8314 -4.3318 -3.8809 C.2 1 noname 0.0597 26 C18 -7.0449 -3.5259 -3.9789 C.3 1 noname 0.4492 27 F4 -7.7897 -3.6807 -2.8383 F 1 noname -0.1633 28 F5 -7.7784 -3.9343 -5.0627 F 1 noname -0.1633 29 F6 -6.7060 -2.2058 -4.1276 F 1 noname -0.1633 30 H1 4.5211 -0.6626 -0.3303 H 1 noname 0.0685 31 H2 1.9178 -3.6499 2.6532 H 1 noname 0.0658 32 H3 0.5804 -4.2424 0.9128 H 1 noname 0.0369 33 H4 2.3193 -4.0848 -1.4570 H 1 noname 0.0469 34 H5 -1.1298 -3.1035 0.1690 H 1 noname 0.0274 35 H6 0.0460 -1.6552 0.4593 H 1 noname 0.0274 36 H7 0.9959 -6.4889 -0.3138 H 1 noname 0.1187 37 H8 2.6948 -6.0718 -0.3138 H 1 noname 0.1187 38 H9 0.9800 -4.8142 -3.0650 H 1 noname 0.0298 39 H10 -0.3118 -5.4164 -1.8269 H 1 noname 0.0298 40 H11 -1.2583 -1.5614 -1.6148 H 1 noname 0.0283 41 H12 0.6113 -1.7174 -1.8265 H 1 noname 0.0283 42 H13 -0.2476 -3.1269 -3.5526 H 1 noname 0.0467 43 H14 -1.9329 -4.6250 -4.7273 H 1 noname 0.0512 44 H15 -1.9184 -5.7187 -3.1885 H 1 noname 0.0512 45 H16 -2.8308 -1.7374 -2.5306 H 1 noname 0.0447 46 H17 -2.1217 -2.0716 -4.2481 H 1 noname 0.0447 47 H18 -4.8496 -2.0017 -3.2947 H 1 noname 0.0487 48 H19 -4.1423 -2.2615 -5.0258 H 1 noname 0.0487 @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 10 8 1 11 10 11 1 12 10 12 1 13 11 13 1 14 11 14 1 15 12 15 1 16 14 16 1 17 15 16 1 18 16 17 1 19 17 18 1 20 17 19 1 21 18 20 1 22 19 21 1 23 20 22 2 24 20 23 1 25 21 23 1 26 22 24 1 27 23 25 1 28 24 25 2 29 25 26 1 30 26 27 1 31 26 28 1 32 26 29 1 33 4 30 1 34 6 31 1 35 10 32 1 36 11 33 1 37 12 34 1 38 12 35 1 39 13 36 1 40 13 37 1 41 14 38 1 42 14 39 1 43 15 40 1 44 15 41 1 45 16 42 1 46 18 43 1 47 18 44 1 48 19 45 1 49 19 46 1 50 21 47 1 51 21 48 1 @SUBSTRUCTURE 1 noname 1