@MOLECULE 76958313 59 62 1 SMALL USER_CHARGES @ATOM 1 P1 5.0788 -9.5736 1.0253 P 1 noname 0.0162 2 F1 1.3317 -1.8894 -1.6290 F 1 noname -0.2392 3 O1 3.7851 -4.7296 -2.0554 O.3 1 noname -0.3813 4 O2 1.6166 -2.0973 1.9730 O.3 1 noname -0.3896 5 O3 5.6129 -5.4647 -0.0441 O.2 1 noname -0.2776 6 O4 4.9769 -8.0378 0.9731 O.3 1 noname -0.1489 7 O5 -3.4951 0.9226 -2.6005 O.2 1 noname -0.3034 8 O6 5.3304 -10.0223 2.4768 O.3 1 noname -0.1643 9 O7 3.7635 -10.1928 0.5172 O.3 1 noname -0.1643 10 O8 6.1686 -10.0109 0.1919 O.2 1 noname -0.1964 11 C1 2.5015 -4.5747 0.0453 C.3 1 noname 0.0093 12 C2 1.1721 -4.5548 -0.8054 C.3 1 noname -0.0265 13 C3 0.1262 -3.5493 -0.2154 C.3 1 noname 0.0005 14 C4 0.7375 -2.0571 -0.3794 C.3 1 noname 0.1519 15 C5 3.3483 -5.4938 -0.9273 C.3 1 noname 0.1309 16 C6 3.0552 -3.1341 0.3055 C.3 1 noname -0.0149 17 C7 0.9027 -6.0529 -1.1201 C.3 1 noname -0.0462 18 C8 1.9943 -2.0239 0.6001 C.3 1 noname 0.0902 19 C9 -0.3748 -0.8703 -0.3758 C.3 1 noname 0.0442 20 C10 2.3424 -6.5754 -1.4196 C.3 1 noname -0.0160 21 C11 -1.3433 -3.7094 -0.6630 C.3 1 noname -0.0432 22 C12 2.3352 -5.1638 1.5064 C.3 1 noname -0.0561 23 C13 -2.1915 -2.6753 0.1218 C.3 1 noname -0.0302 24 C14 -1.7792 -1.3996 -0.4608 C.2 1 noname -0.0275 25 C15 4.6483 -6.1681 -0.4147 C.2 1 noname 0.1751 26 C16 -0.2665 0.0696 0.8597 C.3 1 noname -0.0491 27 C17 -0.1923 0.1382 -1.4502 C.2 1 noname -0.0376 28 C18 -2.7565 -0.8486 -1.2037 C.2 1 noname 0.0223 29 C19 4.7448 -7.6240 -0.3653 C.3 1 noname 0.1239 30 C20 -1.1640 0.6891 -2.2030 C.2 1 noname 0.0172 31 C21 -2.5556 0.3082 -2.0507 C.2 1 noname 0.0644 32 H1 1.3329 -4.1648 -1.8198 H 1 noname 0.0313 33 H2 0.0463 -3.7950 0.8411 H 1 noname 0.0340 34 H3 3.6785 -2.8272 -0.5345 H 1 noname 0.0301 35 H4 3.7579 -3.1752 1.1378 H 1 noname 0.0301 36 H5 0.2931 -6.1312 -2.0203 H 1 noname 0.0271 37 H6 0.4981 -6.5535 -0.2404 H 1 noname 0.0271 38 H7 2.5242 -1.0791 0.4944 H 1 noname 0.0634 39 H8 2.4605 -6.7194 -2.4936 H 1 noname 0.0301 40 H9 2.4767 -7.5226 -0.8973 H 1 noname 0.0301 41 H10 -1.6875 -4.7162 -0.4264 H 1 noname 0.0274 42 H11 -1.3997 -3.4968 -1.7306 H 1 noname 0.0274 43 H12 3.2965 -5.1397 2.0195 H 1 noname 0.0237 44 H13 1.6127 -4.5641 2.0599 H 1 noname 0.0237 45 H14 1.9818 -6.1932 1.4451 H 1 noname 0.0237 46 H15 -3.2490 -2.8430 -0.0822 H 1 noname 0.0313 47 H16 -1.9343 -2.7775 1.1761 H 1 noname 0.0313 48 H17 -1.0369 0.8384 0.7999 H 1 noname 0.0244 49 H18 -0.4034 -0.5118 1.7715 H 1 noname 0.0244 50 H19 0.7164 0.5404 0.8730 H 1 noname 0.0244 51 H20 0.7347 0.4349 -1.6311 H 1 noname 0.0587 52 H21 4.3086 -5.3018 -2.6546 H 1 noname 0.2114 53 H22 2.4195 -2.0736 2.5344 H 1 noname 0.2105 54 H23 -3.6586 -1.2549 -1.1694 H 1 noname 0.0663 55 H24 3.8139 -8.0623 -0.7249 H 1 noname 0.0661 56 H25 5.5698 -7.9550 -0.9961 H 1 noname 0.0661 57 H26 -0.9223 1.3719 -2.8779 H 1 noname 0.0660 58 H27 5.3376 -10.9814 2.5185 H 1 noname 0.2283 59 H28 3.2200 -10.4487 1.2660 H 1 noname 0.2283 @BOND 1 1 6 1 2 1 8 1 3 1 9 1 4 1 10 2 5 14 2 1 6 15 3 1 7 3 52 1 8 18 4 1 9 4 53 1 10 5 25 2 11 6 29 1 12 7 31 2 13 11 12 1 14 11 15 1 15 11 16 1 16 11 22 1 17 12 13 1 18 12 17 1 19 12 32 1 20 13 14 1 21 13 21 1 22 13 33 1 23 14 18 1 24 14 19 1 25 15 20 1 26 15 25 1 27 16 18 1 28 16 34 1 29 16 35 1 30 17 20 1 31 17 36 1 32 17 37 1 33 18 38 1 34 19 24 1 35 19 26 1 36 19 27 1 37 20 39 1 38 20 40 1 39 21 23 1 40 21 41 1 41 21 42 1 42 22 43 1 43 22 44 1 44 22 45 1 45 23 24 1 46 23 46 1 47 23 47 1 48 24 28 2 49 25 29 1 50 26 48 1 51 26 49 1 52 26 50 1 53 27 30 2 54 27 51 1 55 28 31 1 56 28 54 1 57 29 55 1 58 29 56 1 59 30 31 1 60 30 57 1 61 8 58 1 62 9 59 1 @SUBSTRUCTURE 1 noname 1