@MOLECULE DB07181 44 46 1 SMALL USER_CHARGES @ATOM 1 F1 -1.7022 5.3693 -0.6782 F 1 noname -0.1665 2 C1 -0.6722 6.0617 -0.2882 C.2 1 noname 0.0139 3 C2 0.5080 5.4156 0.0607 C.2 1 noname 0.0122 4 C3 -0.7519 7.4478 -0.2204 C.2 1 noname 0.0064 5 C4 1.6085 6.1554 0.4773 C.2 1 noname 0.0039 6 C5 0.5917 3.9597 -0.0105 C.3 1 noname 0.0359 7 C6 0.3486 8.1877 0.1962 C.2 1 noname -0.0008 8 C7 1.5288 7.5415 0.5451 C.2 1 noname 0.0180 9 C8 1.9874 3.5073 0.4233 C.3 1 noname 0.0337 10 F2 2.5588 8.2340 0.9351 F 1 noname -0.1665 11 N1 2.9885 4.0969 -0.4640 N.3 1 noname -0.3236 12 C9 2.0711 2.0514 0.3522 C.2 1 noname -0.0453 13 C10 2.4903 1.4359 -0.8215 C.2 1 noname -0.0476 14 C11 1.7315 1.2808 1.4581 C.2 1 noname -0.0476 15 C12 2.5700 0.0498 -0.8892 C.2 1 noname -0.0441 16 C13 1.8112 -0.1052 1.3903 C.2 1 noname -0.0441 17 C14 2.2304 -0.7207 0.2167 C.2 1 noname -0.0399 18 C15 2.3101 -2.1068 0.1489 C.2 1 noname -0.0256 19 C16 1.9705 -2.8773 1.2548 C.2 1 noname -0.0056 20 C17 2.7293 -2.7223 -1.0248 C.2 1 noname -0.0318 21 C18 2.0502 -4.2634 1.1871 C.2 1 noname -0.0074 22 C19 2.8090 -4.1083 -1.0925 C.2 1 noname -0.0423 23 C20 1.7106 -5.0339 2.2930 C.2 1 noname 0.0080 24 C21 2.4694 -4.8789 0.0134 C.2 1 noname -0.0182 25 O1 1.7823 -6.2804 2.2320 O.2 1 noname -0.2976 26 N2 1.3064 -4.4406 3.4244 N.3 1 noname -0.0882 27 H1 -1.6773 7.9545 -0.4940 H 1 noname 0.0654 28 H2 2.5339 5.6487 0.7509 H 1 noname 0.0657 29 H3 -0.1199 3.5823 0.7240 H 1 noname 0.0336 30 H4 0.4752 3.7039 -1.0636 H 1 noname 0.0336 31 H5 0.2861 9.2746 0.2493 H 1 noname 0.0654 32 H6 2.2155 3.8109 1.4451 H 1 noname 0.0517 33 H7 3.7782 3.5469 -0.7705 H 1 noname 0.1190 34 H8 2.8905 5.0543 -0.7705 H 1 noname 0.1190 35 H9 2.7566 2.0402 -1.6887 H 1 noname 0.0626 36 H10 1.4027 1.7635 2.3784 H 1 noname 0.0626 37 H11 2.8987 -0.4328 -1.8096 H 1 noname 0.0629 38 H12 1.5449 -0.7095 2.2576 H 1 noname 0.0629 39 H13 1.6417 -2.3947 2.1752 H 1 noname 0.0637 40 H14 2.9956 -2.1180 -1.8920 H 1 noname 0.0629 41 H15 3.1378 -4.5910 -2.0129 H 1 noname 0.0623 42 H16 2.5319 -5.9658 -0.0397 H 1 noname 0.0630 43 H17 1.9778 -4.2170 4.1451 H 1 noname 0.1274 44 H18 0.3304 -4.2170 3.5566 H 1 noname 0.1274 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 2 8 6 9 1 9 7 8 1 10 8 10 1 11 9 11 1 12 9 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 2 17 15 17 2 18 16 17 1 19 17 18 1 20 18 19 2 21 18 20 1 22 19 21 1 23 20 22 2 24 21 23 1 25 21 24 2 26 22 24 1 27 23 25 2 28 23 26 1 29 4 27 1 30 5 28 1 31 6 29 1 32 6 30 1 33 7 31 1 34 9 32 1 35 11 33 1 36 11 34 1 37 13 35 1 38 14 36 1 39 15 37 1 40 16 38 1 41 19 39 1 42 20 40 1 43 22 41 1 44 24 42 1 45 26 43 1 46 26 44 1 @SUBSTRUCTURE 1 noname 1