@MOLECULE 125521 45 47 1 SMALL USER_CHARGES @ATOM 1 F1 4.4206 1.9021 -1.6415 F 1 noname -0.1678 2 C1 3.6338 0.9102 -1.1156 C.3 1 noname 0.4183 3 F2 3.8614 -0.2605 -1.7919 F 1 noname -0.1678 4 F3 2.3139 1.2600 -1.2391 F 1 noname -0.1678 5 C2 3.9746 0.7192 0.3637 C.3 1 noname 0.1762 6 O1 3.7388 1.9317 1.0641 O.3 1 noname -0.3791 7 C3 3.1366 -0.3372 0.9237 C.2 1 noname -0.0200 8 C4 1.8862 -0.0530 1.5014 C.2 1 noname 0.0237 9 C5 3.5451 -1.6829 0.9088 C.2 1 noname 0.0094 10 N1 1.1351 -1.0679 2.0128 N.2 1 noname -0.2437 11 C6 2.7600 -2.7639 1.4461 C.2 1 noname 0.0150 12 C7 1.4739 -2.4006 2.0304 C.2 1 noname 0.0638 13 C8 3.4094 -4.0362 1.3021 C.2 1 noname 0.0827 14 N2 0.3749 -2.9926 2.6549 N.3 1 noname 0.0131 15 N3 2.8357 -5.1885 1.7450 N.2 1 noname -0.2171 16 N4 4.6566 -4.1398 0.7010 N.2 1 noname -0.2385 17 C9 -0.2226 -4.1325 3.1078 C.2 1 noname -0.0101 18 C10 3.4525 -6.3958 1.6080 C.2 1 noname 0.0964 19 C11 5.2962 -5.3285 0.5502 C.2 1 noname 0.0686 20 C12 -1.5128 -4.0062 3.7270 C.2 1 noname 0.0077 21 C13 0.3134 -5.4439 3.0252 C.2 1 noname -0.0265 22 N5 4.6701 -6.4408 1.0134 N.2 1 noname -0.2273 23 N6 2.8673 -7.5164 2.0523 N.3 1 noname -0.0771 24 C14 6.6078 -5.4073 -0.0862 C.3 1 noname 0.0696 25 N7 -2.1488 -5.1482 4.1993 N.2 1 noname -0.2277 26 C15 -0.3338 -6.6140 3.5069 C.2 1 noname 0.0028 27 C16 -1.6049 -6.4153 4.1066 C.2 1 noname 0.0326 28 O2 -2.2888 -7.4737 4.5909 O.3 1 noname -0.2487 29 C17 -1.9406 -7.6796 5.9521 C.3 1 noname 0.0440 30 H1 5.0214 0.4623 0.5256 H 1 noname 0.0749 31 H2 3.7709 1.7667 2.0092 H 1 noname 0.2113 32 H3 1.4956 0.9633 1.5532 H 1 noname 0.0843 33 H4 4.5148 -1.8981 0.4600 H 1 noname 0.0635 34 H5 -0.2896 -2.2667 2.8821 H 1 noname 0.1358 35 H6 -2.0098 -3.0425 3.8387 H 1 noname 0.0857 36 H7 1.2915 -5.5608 2.5587 H 1 noname 0.0641 37 H8 1.8714 -7.5337 2.2197 H 1 noname 0.1273 38 H9 3.4220 -8.3436 2.2197 H 1 noname 0.1273 39 H10 7.3814 -5.4538 0.6803 H 1 noname 0.0312 40 H11 6.6573 -6.3019 -0.7070 H 1 noname 0.0312 41 H12 6.7641 -4.5251 -0.7070 H 1 noname 0.0312 42 H13 0.1169 -7.6028 3.4216 H 1 noname 0.0667 43 H14 -1.8884 -8.7491 6.1560 H 1 noname 0.0535 44 H15 -0.9708 -7.2239 6.1520 H 1 noname 0.0535 45 H16 -2.6953 -7.2239 6.5931 H 1 noname 0.0535 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 5 2 1 5 5 6 1 6 5 7 1 7 7 8 2 8 7 9 1 9 8 10 1 10 9 11 2 11 10 12 2 12 11 13 1 13 11 12 1 14 12 14 1 15 13 15 2 16 13 16 1 17 14 17 1 18 15 18 1 19 16 19 2 20 17 20 2 21 17 21 1 22 18 22 2 23 18 23 1 24 19 24 1 25 19 22 1 26 20 25 1 27 21 26 2 28 25 27 2 29 26 27 1 30 27 28 1 31 28 29 1 32 5 30 1 33 6 31 1 34 8 32 1 35 9 33 1 36 14 34 1 37 20 35 1 38 21 36 1 39 23 37 1 40 23 38 1 41 24 39 1 42 24 40 1 43 24 41 1 44 26 42 1 45 29 43 1 46 29 44 1 47 29 45 1 @SUBSTRUCTURE 1 noname 1