@MOLECULE FDBD01993 48 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.9721 -0.1904 -2.4854 C.3 1 UNK -0.0626 2 C1 0.9209 -1.5118 -1.7158 C.3 1 UNK -0.0244 3 C2 -0.5176 -1.7898 -1.2749 C.3 1 UNK 0.0930 4 C3 -1.6086 -1.3489 -2.2527 C.3 1 UNK -0.0334 5 C4 -0.7761 -3.0411 -0.4334 C.3 1 UNK 0.0884 6 C5 0.4212 -3.9301 -0.0912 C.3 1 UNK -0.0202 7 C6 -0.0658 -5.1816 0.6419 C.3 1 UNK -0.0296 8 C7 1.1136 -6.0572 0.9789 C.2 1 UNK -0.0764 9 C8 1.6799 -5.9684 2.1569 C.2 1 UNK -0.0847 10 C9 2.9411 -6.7406 2.4467 C.3 1 UNK -0.0308 11 C10 4.0099 -5.7878 2.9860 C.3 1 UNK -0.0281 12 C11 5.2711 -6.5600 3.2759 C.2 1 UNK -0.0656 13 C12 6.2386 -6.6208 2.3640 C.2 1 UNK 0.0215 14 C13 7.3860 -7.5158 2.5687 C.2 1 UNK 0.3316 15 O 7.3993 -8.2805 3.5132 O.2 1 UNK -0.2456 16 O1 8.4237 -7.4886 1.7088 O.3 1 UNK -0.4649 17 C14 9.5227 -8.4002 1.9728 C.3 1 UNK 0.0820 18 C15 5.4369 -7.2634 4.5983 C.3 1 UNK -0.0433 19 C16 1.6415 -7.0349 -0.0391 C.3 1 UNK -0.0438 20 O2 -0.8100 -1.7251 0.1224 O.3 1 UNK -0.3650 21 H 1.9781 0.0040 -2.7937 H 1 UNK 0.0231 22 H1 0.6329 0.6037 -1.8535 H 1 UNK 0.0231 23 H2 0.3411 -0.2548 -3.3471 H 1 UNK 0.0231 24 H3 1.5519 -1.4474 -0.8541 H 1 UNK 0.0291 25 H4 1.2601 -2.3059 -2.3476 H 1 UNK 0.0291 26 H5 -1.2906 -0.4666 -2.7678 H 1 UNK 0.0258 27 H6 -2.5089 -1.1417 -1.7128 H 1 UNK 0.0258 28 H7 -1.7893 -2.1300 -2.9613 H 1 UNK 0.0258 29 H8 -1.4446 -3.8753 -0.4785 H 1 UNK 0.0625 30 H9 1.0986 -3.3899 0.5366 H 1 UNK 0.0294 31 H10 0.9217 -4.2168 -0.9924 H 1 UNK 0.0294 32 H11 -0.7432 -5.7218 0.0141 H 1 UNK 0.0311 33 H12 -0.5663 -4.8950 1.5431 H 1 UNK 0.0311 34 H13 1.2623 -5.3696 2.8864 H 1 UNK 0.0572 35 H14 3.2935 -7.1990 1.5464 H 1 UNK 0.0310 36 H15 2.7368 -7.4968 3.1756 H 1 UNK 0.0310 37 H16 3.6575 -5.3293 3.8863 H 1 UNK 0.0313 38 H17 4.2142 -5.0317 2.2570 H 1 UNK 0.0313 39 H18 6.1830 -6.0394 1.5132 H 1 UNK 0.0688 40 H19 10.2752 -8.2786 1.2219 H 1 UNK 0.0661 41 H20 9.1623 -9.4075 1.9566 H 1 UNK 0.0661 42 H21 9.9404 -8.1862 2.9344 H 1 UNK 0.0661 43 H22 4.5653 -7.1048 5.1984 H 1 UNK 0.0274 44 H23 6.2946 -6.8728 5.1050 H 1 UNK 0.0274 45 H24 5.5685 -8.3119 4.4305 H 1 UNK 0.0274 46 H25 1.0589 -6.9674 -0.9340 H 1 UNK 0.0274 47 H26 1.5779 -8.0281 0.3538 H 1 UNK 0.0274 48 H27 2.6626 -6.8034 -0.2599 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 1 3 3 20 1 4 3 4 1 5 3 5 1 6 5 6 1 7 5 20 1 8 6 7 1 9 7 8 1 10 8 9 2 11 8 19 1 12 9 10 1 13 10 11 1 14 11 12 1 15 12 13 2 16 12 18 1 17 13 14 1 18 14 15 2 19 14 16 1 20 16 17 1 21 1 21 1 22 1 22 1 23 1 23 1 24 2 24 1 25 2 25 1 26 4 26 1 27 4 27 1 28 4 28 1 29 5 29 1 30 6 30 1 31 6 31 1 32 7 32 1 33 7 33 1 34 9 34 1 35 10 35 1 36 10 36 1 37 11 37 1 38 11 38 1 39 13 39 1 40 17 40 1 41 17 41 1 42 17 42 1 43 18 43 1 44 18 44 1 45 18 45 1 46 19 46 1 47 19 47 1 48 19 48 1