@MOLECULE 31095 59 62 1 SMALL USER_CHARGES @ATOM 1 F1 -3.1397 -2.9637 2.7053 F 1 noname -0.1655 2 C1 -2.3253 -1.9950 2.4039 C.2 1 noname 0.0281 3 C2 -2.8472 -0.7996 1.8261 C.2 1 noname 0.0207 4 C3 -0.9237 -2.1526 2.6598 C.2 1 noname 0.0071 5 C4 -1.8992 0.2353 1.5156 C.2 1 noname 0.0045 6 C5 0.0093 -1.1194 2.3695 C.2 1 noname -0.0133 7 C6 -0.5310 0.0755 1.8008 C.2 1 noname -0.0030 8 C7 -2.0415 1.4356 0.8656 C.2 1 noname 0.0512 9 N1 0.1482 1.1641 1.4434 N.3 1 noname -0.1350 10 C8 -0.7439 2.0937 0.8534 C.2 1 noname 0.1009 11 C9 -3.1628 1.8809 0.2627 C.2 1 noname -0.0057 12 O1 -0.4742 3.2334 0.4166 O.2 1 noname -0.2753 13 C10 -3.3893 2.9552 -0.5753 C.2 1 noname -0.1177 14 N2 -4.6245 3.4004 -0.8962 N.3 1 noname -0.0494 15 C11 -2.4520 3.6955 -1.3004 C.2 1 noname -0.0110 16 C12 -4.5158 4.3929 -1.7893 C.2 1 noname -0.0626 17 C13 -3.1691 4.5926 -2.0599 C.2 1 noname -0.0085 18 C14 -1.0001 3.5470 -1.2607 C.3 1 noname 0.0141 19 C15 -5.6250 5.1378 -2.3779 C.3 1 noname 0.0148 20 C16 -2.5137 5.5383 -2.9680 C.2 1 noname 0.0173 21 O2 -1.2778 5.6061 -3.1423 O.2 1 noname -0.2944 22 N3 -3.4800 6.3845 -3.6378 N.3 1 noname -0.0747 23 C17 -2.7354 7.2148 -4.5646 C.3 1 noname 0.0304 24 C18 -3.8582 7.9527 -5.2737 C.3 1 noname 0.0797 25 O3 -4.8290 7.1415 -5.9326 O.3 1 noname -0.3903 26 C19 -3.3469 9.0168 -6.2441 C.3 1 noname 0.0258 27 N4 -4.4530 9.8555 -6.7021 N.3 1 noname -0.2961 28 C20 -4.0000 10.6127 -7.9035 C.3 1 noname 0.0220 29 C21 -5.1888 10.5432 -5.5796 C.3 1 noname 0.0220 30 C22 -4.6604 12.0368 -7.9545 C.3 1 noname 0.0595 31 C23 -4.7019 12.0041 -5.4316 C.3 1 noname 0.0595 32 O4 -4.7880 12.7526 -6.6758 O.3 1 noname -0.3786 33 H1 -3.9135 -0.6832 1.6322 H 1 noname 0.0660 34 H2 -0.5567 -3.0855 3.0877 H 1 noname 0.0653 35 H3 1.0742 -1.2364 2.5706 H 1 noname 0.0640 36 H4 1.1424 1.2646 1.5906 H 1 noname 0.1374 37 H5 -4.0345 1.2679 0.4919 H 1 noname 0.0650 38 H6 -5.4946 3.0459 -0.5257 H 1 noname 0.1524 39 H7 -0.6666 3.5129 -0.2236 H 1 noname 0.0280 40 H8 -0.7153 2.6233 -1.7645 H 1 noname 0.0280 41 H9 -0.5343 4.3941 -1.7645 H 1 noname 0.0280 42 H10 -6.2450 5.5542 -1.5840 H 1 noname 0.0293 43 H11 -5.2329 5.9465 -2.9946 H 1 noname 0.0293 44 H12 -6.2252 4.4689 -2.9946 H 1 noname 0.0293 45 H13 -4.4788 6.3938 -3.4878 H 1 noname 0.1314 46 H14 -2.1531 7.9271 -3.9801 H 1 noname 0.0460 47 H15 -2.2363 6.5559 -5.2752 H 1 noname 0.0460 48 H16 -4.4444 8.3811 -4.4607 H 1 noname 0.0627 49 H17 -5.3676 6.6914 -5.2776 H 1 noname 0.2105 50 H18 -2.6849 9.6773 -5.6841 H 1 noname 0.0457 51 H19 -2.9788 8.4998 -7.1303 H 1 noname 0.0457 52 H20 -2.9277 10.7559 -7.7702 H 1 noname 0.0454 53 H21 -4.3725 10.0504 -8.7597 H 1 noname 0.0454 54 H22 -6.2347 10.5845 -5.8837 H 1 noname 0.0454 55 H23 -4.9069 10.0187 -4.6666 H 1 noname 0.0454 56 H24 -3.9925 12.6676 -8.5411 H 1 noname 0.0579 57 H25 -5.6917 11.8891 -8.2749 H 1 noname 0.0579 58 H26 -5.3911 12.5069 -4.7532 H 1 noname 0.0579 59 H27 -3.6376 11.9676 -5.1990 H 1 noname 0.0579 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 7 1 9 7 9 1 10 8 10 1 11 8 11 2 12 9 10 1 13 10 12 2 14 11 13 1 15 13 14 1 16 13 15 2 17 14 16 1 18 15 17 1 19 15 18 1 20 16 19 1 21 16 17 2 22 17 20 1 23 20 21 2 24 20 22 1 25 22 23 1 26 24 23 1 27 24 25 1 28 24 26 1 29 26 27 1 30 27 28 1 31 27 29 1 32 28 30 1 33 29 31 1 34 30 32 1 35 31 32 1 36 3 33 1 37 4 34 1 38 6 35 1 39 9 36 1 40 11 37 1 41 14 38 1 42 18 39 1 43 18 40 1 44 18 41 1 45 19 42 1 46 19 43 1 47 19 44 1 48 22 45 1 49 23 46 1 50 23 47 1 51 24 48 1 52 25 49 1 53 26 50 1 54 26 51 1 55 28 52 1 56 28 53 1 57 29 54 1 58 29 55 1 59 30 56 1 60 30 57 1 61 31 58 1 62 31 59 1 @SUBSTRUCTURE 1 noname 1