@MOLECULE DB07154 44 45 1 SMALL USER_CHARGES @ATOM 1 F1 2.9044 -1.7253 1.2091 F 1 noname -0.1491 2 C1 2.7194 -0.4906 0.8434 C.2 1 noname 0.0861 3 C2 1.4036 -0.0755 0.4561 C.2 1 noname 0.0669 4 C3 3.8396 0.4044 0.8427 C.2 1 noname 0.0585 5 F2 0.4139 -0.9200 0.4579 F 1 noname -0.1524 6 C4 1.2011 1.2799 0.0691 C.2 1 noname 0.0275 7 C5 3.6317 1.7647 0.4611 C.2 1 noname 0.0387 8 C6 2.3106 2.1991 0.0973 C.2 1 noname 0.0106 9 F3 4.6274 2.6020 0.4429 F 1 noname -0.1632 10 C7 2.0582 3.6273 -0.2091 C.3 1 noname -0.0091 11 C8 1.6563 4.4618 1.0310 C.3 1 noname 0.0164 12 N1 0.4791 3.8640 1.6852 N.3 1 noname -0.3269 13 C9 1.3848 5.9477 0.6944 C.3 1 noname 0.0369 14 C10 1.1332 6.6747 2.0359 C.2 1 noname 0.0460 15 O1 1.0792 5.9967 3.0846 O.2 1 noname -0.2941 16 N2 0.9513 8.1601 2.1294 N.3 1 noname -0.0615 17 C11 0.2576 8.6993 3.3421 C.3 1 noname 0.0877 18 C12 2.1745 8.9415 1.8249 C.3 1 noname 0.0078 19 C13 0.8104 8.2471 4.7218 C.2 1 noname 0.0460 20 C14 -1.2648 8.5018 3.2545 C.3 1 noname -0.0406 21 C15 3.4156 8.8811 2.7676 C.3 1 noname -0.0268 22 O2 0.1616 7.5245 5.5089 O.2 1 noname -0.2908 23 N3 2.1745 8.7463 5.0252 N.3 1 noname -0.0747 24 C16 3.2638 8.2325 4.1702 C.3 1 noname 0.0039 25 H1 4.8325 0.0565 1.1275 H 1 noname 0.0685 26 H2 0.2105 1.6092 -0.2444 H 1 noname 0.0658 27 H3 3.0161 4.0174 -0.5529 H 1 noname 0.0333 28 H4 1.1982 3.6261 -0.8788 H 1 noname 0.0333 29 H5 2.4734 4.4200 1.7512 H 1 noname 0.0470 30 H6 -0.3203 4.4391 1.9095 H 1 noname 0.1187 31 H7 0.4717 2.8793 1.9095 H 1 noname 0.1187 32 H8 2.3018 6.3573 0.2707 H 1 noname 0.0377 33 H9 0.4562 5.9872 0.1250 H 1 noname 0.0377 34 H10 0.5036 9.7588 3.2713 H 1 noname 0.0565 35 H11 2.5092 8.5190 0.8775 H 1 noname 0.0436 36 H12 1.8268 9.9736 1.8689 H 1 noname 0.0436 37 H13 -1.6826 8.4476 4.2598 H 1 noname 0.0251 38 H14 -1.7100 9.3415 2.7208 H 1 noname 0.0251 39 H15 -1.4810 7.5763 2.7208 H 1 noname 0.0251 40 H16 4.1306 8.2447 2.2463 H 1 noname 0.0293 41 H17 3.6612 9.9233 2.9718 H 1 noname 0.0293 42 H18 2.3521 9.4007 5.7737 H 1 noname 0.1310 43 H19 2.9973 7.1900 3.9962 H 1 noname 0.0433 44 H20 4.1727 8.4783 4.7193 H 1 noname 0.0433 @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 6 8 2 8 7 9 1 9 7 8 1 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 13 14 1 15 14 15 2 16 14 16 1 17 16 17 1 18 16 18 1 19 17 19 1 20 17 20 1 21 18 21 1 22 19 22 2 23 19 23 1 24 21 24 1 25 23 24 1 26 4 25 1 27 6 26 1 28 10 27 1 29 10 28 1 30 11 29 1 31 12 30 1 32 12 31 1 33 13 32 1 34 13 33 1 35 17 34 1 36 18 35 1 37 18 36 1 38 20 37 1 39 20 38 1 40 20 39 1 41 21 40 1 42 21 41 1 43 23 42 1 44 24 43 1 45 24 44 1 @SUBSTRUCTURE 1 noname 1