@MOLECULE 76960410 71 75 1 SMALL USER_CHARGES @ATOM 1 P1 -2.3013 4.7522 3.6150 P 1 noname 0.0162 2 F1 2.6337 -2.3842 -1.6474 F 1 noname -0.2399 3 O1 0.5157 2.5851 -0.2899 O.3 1 noname -0.3327 4 O2 1.4721 3.2361 1.7068 O.3 1 noname -0.3436 5 O3 -0.0223 -1.9614 -2.7994 O.3 1 noname -0.3896 6 O4 -2.4124 2.3988 -0.1545 O.2 1 noname -0.2766 7 O5 0.5230 -7.5510 0.9380 O.2 1 noname -0.2993 8 O6 -1.8117 4.2334 2.2502 O.3 1 noname -0.1489 9 O7 -1.9699 6.2506 3.7435 O.3 1 noname -0.1643 10 O8 -1.5992 3.9727 4.7424 O.3 1 noname -0.1643 11 O9 -3.7254 4.5652 3.7169 O.2 1 noname -0.1964 12 C1 -0.0485 0.2066 0.4015 C.3 1 noname 0.0124 13 C2 1.5171 -0.0011 0.6188 C.3 1 noname -0.0240 14 C3 1.9059 -1.5201 0.5611 C.3 1 noname -0.0004 15 C4 1.5243 -2.2618 -0.8087 C.3 1 noname 0.1450 16 C5 -0.1845 1.7757 0.6911 C.3 1 noname 0.1637 17 C6 1.1655 -3.7985 -0.4076 C.3 1 noname 0.0081 18 C7 -0.4728 -0.3897 -0.9821 C.3 1 noname -0.0148 19 C8 1.8091 0.8260 1.9021 C.3 1 noname -0.0194 20 C9 0.7883 1.9950 1.9036 C.3 1 noname 0.0982 21 C10 0.5770 -1.3127 -1.6844 C.3 1 noname 0.0896 22 C11 2.4251 -4.3843 0.4614 C.3 1 noname -0.0259 23 C12 3.2461 -2.0590 1.1671 C.3 1 noname -0.0467 24 C13 3.0380 -3.5405 1.5928 C.3 1 noname -0.0490 25 C14 -1.0429 -0.6226 1.3172 C.3 1 noname -0.0559 26 C15 0.9629 -4.8544 -1.5542 C.3 1 noname -0.0375 27 C16 -0.2632 -3.7805 0.2355 C.3 1 noname -0.0562 28 C17 -1.6532 2.3599 0.8378 C.2 1 noname 0.1773 29 C18 2.2584 -5.8123 1.0752 C.3 1 noname 0.0095 30 C19 1.0621 3.7097 0.4230 C.3 1 noname 0.1645 31 C20 1.1190 -6.3879 -1.1656 C.3 1 noname 0.0067 32 C21 1.2172 -6.6884 0.3579 C.2 1 noname 0.1327 33 C22 -2.1173 2.8518 2.1317 C.3 1 noname 0.1241 34 C23 2.2771 4.2512 -0.3328 C.3 1 noname -0.0107 35 C24 -0.0471 4.7451 0.6194 C.3 1 noname -0.0107 36 H1 2.0819 0.5086 -0.1770 H 1 noname 0.0314 37 H2 1.2127 -1.8508 1.3164 H 1 noname 0.0339 38 H3 -1.4142 -0.9281 -0.8724 H 1 noname 0.0301 39 H4 -0.6493 0.4323 -1.6759 H 1 noname 0.0301 40 H5 1.6481 0.2019 2.7810 H 1 noname 0.0297 41 H6 2.8404 1.1765 1.9434 H 1 noname 0.0297 42 H7 0.2766 2.0184 2.8726 H 1 noname 0.0640 43 H8 1.2282 -0.5505 -2.1355 H 1 noname 0.0634 44 H9 3.2809 -4.4878 -0.2358 H 1 noname 0.0314 45 H10 3.5151 -1.4644 2.0402 H 1 noname 0.0271 46 H11 4.0200 -1.9669 0.4051 H 1 noname 0.0271 47 H12 2.3889 -3.5794 2.4676 H 1 noname 0.0270 48 H13 3.9808 -3.9764 1.9232 H 1 noname 0.0270 49 H14 -2.0712 -0.3757 1.0533 H 1 noname 0.0237 50 H15 -0.8665 -0.3734 2.3636 H 1 noname 0.0237 51 H16 -0.8744 -1.6886 1.1642 H 1 noname 0.0237 52 H17 -0.0065 -4.6962 -2.0268 H 1 noname 0.0278 53 H18 1.7205 -4.6761 -2.3173 H 1 noname 0.0278 54 H19 -0.5459 -4.7937 0.5209 H 1 noname 0.0237 55 H20 -0.9817 -3.3924 -0.4864 H 1 noname 0.0237 56 H21 -0.2557 -3.1428 1.1195 H 1 noname 0.0237 57 H22 1.9962 -5.7261 2.1297 H 1 noname 0.0349 58 H23 3.2132 -6.3363 1.1183 H 1 noname 0.0349 59 H24 0.2952 -6.9574 -1.5959 H 1 noname 0.0346 60 H25 2.0864 -6.6672 -1.5828 H 1 noname 0.0346 61 H26 0.6780 -2.2998 -3.3956 H 1 noname 0.2105 62 H27 -3.1954 2.7102 2.2088 H 1 noname 0.0661 63 H28 -1.6204 2.3000 2.9297 H 1 noname 0.0661 64 H29 0.3500 5.6051 1.1587 H 1 noname 0.0285 65 H30 -0.8612 4.3012 1.1924 H 1 noname 0.0285 66 H31 -0.4203 5.0666 -0.3529 H 1 noname 0.0285 67 H32 2.6910 5.1029 0.2071 H 1 noname 0.0285 68 H33 1.9732 4.5666 -1.3310 H 1 noname 0.0285 69 H34 3.0329 3.4699 -0.4131 H 1 noname 0.0285 70 H35 -1.9173 6.4883 4.6722 H 1 noname 0.2283 71 H36 -1.6955 3.0301 4.5877 H 1 noname 0.2283 @BOND 1 1 8 1 2 1 9 1 3 1 10 1 4 1 11 2 5 15 2 1 6 3 16 1 7 3 30 1 8 4 20 1 9 4 30 1 10 21 5 1 11 5 61 1 12 6 28 2 13 7 32 2 14 8 33 1 15 12 13 1 16 12 16 1 17 12 18 1 18 12 25 1 19 13 14 1 20 13 19 1 21 13 36 1 22 14 15 1 23 14 23 1 24 14 37 1 25 15 17 1 26 15 21 1 27 16 20 1 28 16 28 1 29 17 22 1 30 17 26 1 31 17 27 1 32 18 21 1 33 18 38 1 34 18 39 1 35 19 20 1 36 19 40 1 37 19 41 1 38 20 42 1 39 21 43 1 40 22 24 1 41 22 29 1 42 22 44 1 43 23 24 1 44 23 45 1 45 23 46 1 46 24 47 1 47 24 48 1 48 25 49 1 49 25 50 1 50 25 51 1 51 26 31 1 52 26 52 1 53 26 53 1 54 27 54 1 55 27 55 1 56 27 56 1 57 28 33 1 58 29 32 1 59 29 57 1 60 29 58 1 61 30 34 1 62 30 35 1 63 31 32 1 64 31 59 1 65 31 60 1 66 33 62 1 67 33 63 1 68 34 67 1 69 34 68 1 70 34 69 1 71 35 64 1 72 35 65 1 73 35 66 1 74 9 70 1 75 10 71 1 @SUBSTRUCTURE 1 noname 1