@MOLECULE 71587950 40 41 1 SMALL USER_CHARGES @ATOM 1 F1 -6.8068 -2.2238 0.5968 F 1 noname -0.1661 2 F2 -7.0420 -0.4475 -0.7455 F 1 noname -0.1661 3 F3 -6.6577 -0.1555 1.4407 F 1 noname -0.1661 4 O1 0.2350 0.3220 -2.8682 O.3 1 noname -0.1978 5 N1 -0.7407 -0.0543 -2.1340 N.2 1 noname -0.2018 6 N2 0.7423 -0.4265 -6.4590 N.3 1 noname -0.3281 7 C1 0.3828 -0.7157 0.0040 C.3 1 noname 0.0178 8 C2 -0.7787 -0.5128 -0.9218 C.2 1 noname 0.0468 9 C3 -2.1132 -0.7805 -0.4927 C.2 1 noname -0.0272 10 C4 1.8576 -0.6245 -0.3081 C.2 1 noname -0.0523 11 C5 -2.6715 -0.1416 0.6380 C.2 1 noname -0.0220 12 C6 -2.9943 -1.6058 -1.2602 C.2 1 noname -0.0220 13 C7 -4.9261 -0.9431 0.0951 C.2 1 noname 0.0016 14 C8 -4.0557 -0.2009 0.9247 C.2 1 noname -0.0181 15 C9 -4.3805 -1.6596 -0.9884 C.2 1 noname -0.0181 16 C10 2.7926 -0.2507 0.7017 C.2 1 noname -0.0555 17 C11 2.4111 -0.9295 -1.5838 C.2 1 noname -0.0555 18 C12 -6.3854 -0.9425 0.3516 C.3 1 noname 0.4161 19 C13 4.1649 -0.1150 0.4529 C.2 1 noname -0.0601 20 C14 3.7615 -0.6068 -1.8823 C.2 1 noname -0.0601 21 C15 4.6344 -0.2188 -0.8549 C.2 1 noname -0.0615 22 C16 -0.0616 -0.2380 -4.1595 C.3 1 noname 0.0894 23 C17 1.0437 0.1426 -5.1466 C.3 1 noname 0.0187 24 H1 0.1811 -0.2207 0.9539 H 1 noname 0.0382 25 H2 0.2477 -1.7238 0.3959 H 1 noname 0.0382 26 H3 -2.0812 0.4201 1.2520 H 1 noname 0.0629 27 H4 -2.6422 -2.1561 -2.0433 H 1 noname 0.0629 28 H5 -4.4095 0.3334 1.7229 H 1 noname 0.0629 29 H6 -4.9876 -2.2092 -1.6127 H 1 noname 0.0629 30 H7 2.4873 -0.0849 1.6499 H 1 noname 0.0625 31 H8 1.8220 -1.3478 -2.3024 H 1 noname 0.0625 32 H9 4.8302 0.0573 1.2050 H 1 noname 0.0622 33 H10 4.0820 -0.6047 -2.8407 H 1 noname 0.0622 34 H11 5.6125 -0.0114 -1.0611 H 1 noname 0.0622 35 H12 -1.0156 0.1521 -4.5143 H 1 noname 0.0608 36 H13 -0.1199 -1.3235 -4.0801 H 1 noname 0.0608 37 H14 1.1020 1.2282 -5.2260 H 1 noname 0.0450 38 H15 1.9977 -0.2474 -4.7918 H 1 noname 0.0450 39 H16 1.4806 -0.1723 -7.1184 H 1 noname 0.1185 40 H17 -0.1522 -0.0608 -6.7917 H 1 noname 0.1185 @BOND 1 1 18 1 2 2 18 1 3 3 18 1 4 4 5 1 5 4 22 1 6 5 8 2 7 6 23 1 8 6 39 1 9 6 40 1 10 7 8 1 11 7 10 1 12 7 24 1 13 7 25 1 14 8 9 1 15 9 11 2 16 9 12 1 17 10 16 2 18 10 17 1 19 11 14 1 20 11 26 1 21 12 15 2 22 12 27 1 23 13 14 2 24 13 15 1 25 13 18 1 26 14 28 1 27 15 29 1 28 16 19 1 29 16 30 1 30 17 20 2 31 17 31 1 32 19 21 2 33 19 32 1 34 20 21 1 35 20 33 1 36 21 34 1 37 22 23 1 38 22 35 1 39 22 36 1 40 23 37 1 41 23 38 1 @SUBSTRUCTURE 1 noname 1