@MOLECULE DB02014 46 48 1 SMALL USER_CHARGES @ATOM 1 F1 2.1746 -0.9762 0.2666 F 1 noname -0.1599 2 C1 1.5146 0.1339 0.1094 C.2 1 noname 0.0520 3 C2 0.0707 0.0992 0.0315 C.2 1 noname 0.0275 4 C3 2.2284 1.3716 0.0160 C.2 1 noname 0.0034 5 C4 -0.7103 -1.0794 -0.2062 C.2 1 noname 0.1226 6 C5 -0.6487 1.3487 0.0003 C.2 1 noname -0.0020 7 C6 1.4633 2.5802 -0.1245 C.2 1 noname -0.0214 8 O1 -2.0583 -1.1541 -0.0929 O.3 1 noname -0.2724 9 C7 -0.3107 -2.2805 -0.7915 C.2 1 noname 0.0878 10 C8 0.0305 2.6006 -0.0996 C.2 1 noname -0.0380 11 N1 -2.5085 -2.2754 -0.5983 N.2 1 noname -0.0918 12 C9 -1.4755 -2.9997 -1.0548 C.2 1 noname 0.1185 13 C10 -0.6580 3.7713 -0.1687 C.2 1 noname -0.0495 14 C11 -1.5527 -4.2404 -1.6766 C.2 1 noname 0.1284 15 C12 -0.1242 4.8867 0.3210 C.2 1 noname -0.0557 16 O2 -2.6650 -4.7823 -1.8546 O.2 1 noname -0.2451 17 O3 -0.4263 -4.8603 -2.0883 O.3 1 noname -0.2089 18 C13 -0.8482 6.1177 0.2483 C.3 1 noname 0.0719 19 O4 -0.0759 7.1562 0.8328 O.3 1 noname -0.2609 20 C14 -0.7594 8.3184 0.7642 C.2 1 noname 0.0555 21 C15 -0.2015 9.4841 1.2760 C.2 1 noname 0.0440 22 C16 -2.0211 8.3493 0.1817 C.2 1 noname -0.0276 23 C17 -0.9052 10.6807 1.2053 C.2 1 noname 0.0543 24 C18 1.0602 9.4532 1.8584 C.2 1 noname 0.1068 25 C19 -2.7249 9.5459 0.1111 C.2 1 noname -0.0210 26 O5 -0.3633 11.8128 1.7024 O.3 1 noname -0.2747 27 C20 -2.1669 10.7116 0.6229 C.2 1 noname -0.0287 28 O6 1.4596 8.4157 2.4298 O.2 1 noname -0.2530 29 O7 1.8543 10.5437 1.8069 O.3 1 noname -0.2063 30 C21 3.1433 10.5122 2.4019 C.3 1 noname 0.0457 31 H1 3.3176 1.3929 0.0507 H 1 noname 0.0653 32 H2 -1.7374 1.3469 0.0538 H 1 noname 0.0637 33 H3 1.9933 3.5236 -0.2558 H 1 noname 0.0629 34 H4 0.7115 -2.5954 -1.0019 H 1 noname 0.0677 35 H5 -1.6485 3.8162 -0.6215 H 1 noname 0.0626 36 H6 0.8674 4.7955 0.7643 H 1 noname 0.0600 37 H7 0.0825 -5.1404 -1.3239 H 1 noname 0.2217 38 H8 -0.9518 6.3625 -0.8088 H 1 noname 0.0617 39 H9 -1.7357 6.0005 0.8702 H 1 noname 0.0617 40 H10 -2.4587 7.4352 -0.2196 H 1 noname 0.0650 41 H11 -3.7143 9.5701 -0.3457 H 1 noname 0.0624 42 H12 -0.3788 11.7806 2.6617 H 1 noname 0.2182 43 H13 -2.7188 11.6499 0.5675 H 1 noname 0.0650 44 H14 3.0426 10.5146 3.4873 H 1 noname 0.0536 45 H15 3.6665 9.6091 2.0876 H 1 noname 0.0536 46 H16 3.7101 11.3885 2.0876 H 1 noname 0.0536 @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 1 8 5 9 2 9 6 10 2 10 7 10 1 11 8 11 1 12 9 12 1 13 10 13 1 14 11 12 2 15 12 14 1 16 13 15 2 17 14 16 2 18 14 17 1 19 15 18 1 20 18 19 1 21 19 20 1 22 20 21 2 23 20 22 1 24 21 23 1 25 21 24 1 26 22 25 2 27 23 26 1 28 23 27 2 29 24 28 2 30 24 29 1 31 25 27 1 32 29 30 1 33 4 31 1 34 6 32 1 35 7 33 1 36 9 34 1 37 13 35 1 38 15 36 1 39 17 37 1 40 18 38 1 41 18 39 1 42 22 40 1 43 25 41 1 44 26 42 1 45 27 43 1 46 30 44 1 47 30 45 1 48 30 46 1 @SUBSTRUCTURE 1 noname 1