@MOLECULE FDBD02266 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.9526 -1.9745 -3.1251 C.3 1 UNK -0.0585 2 C1 0.8964 -1.9260 -2.0192 C.3 1 UNK -0.0156 3 C2 0.2151 -3.2579 -1.6985 C.3 1 UNK -0.0585 4 C3 1.1310 -0.9550 -0.8603 C.3 1 UNK 0.0677 5 C4 2.3847 -0.1195 -0.8955 C.2 1 UNK 0.3128 6 O 2.3069 1.0861 -0.9132 O.2 1 UNK -0.2504 7 O1 3.5878 -0.7147 -0.9073 O.3 1 UNK -0.4412 8 C5 4.7519 0.1525 -0.9414 C.3 1 UNK 0.2129 9 C6 5.1697 0.4674 0.4345 C.1 1 UNK 0.1123 10 N 5.4921 0.7104 1.4963 N.1 1 UNK -0.1923 11 C7 5.8773 -0.5455 -1.6608 C.ar 1 UNK 0.0103 12 C8 6.0300 -1.9147 -1.5406 C.ar 1 UNK -0.0538 13 C9 7.0610 -2.5581 -2.1996 C.ar 1 UNK -0.0579 14 C10 7.9420 -1.8343 -2.9798 C.ar 1 UNK -0.0193 15 C11 7.7910 -0.4606 -3.1020 C.ar 1 UNK 0.1288 16 C12 6.7518 0.1820 -2.4440 C.ar 1 UNK -0.0116 17 O2 8.6561 0.2536 -3.8687 O.3 1 UNK -0.4560 18 C13 8.4296 1.5855 -4.0143 C.ar 1 UNK 0.1284 19 C14 8.8077 2.4683 -3.0127 C.ar 1 UNK -0.0193 20 C15 8.5761 3.8218 -3.1631 C.ar 1 UNK -0.0583 21 C16 7.9678 4.2971 -4.3103 C.ar 1 UNK -0.0615 22 C17 7.5896 3.4195 -5.3096 C.ar 1 UNK -0.0583 23 C18 7.8249 2.0658 -5.1671 C.ar 1 UNK -0.0193 24 C19 0.0526 -0.6550 -1.9034 C.3 1 UNK -0.0156 25 C20 0.3296 0.4703 -2.9023 C.3 1 UNK -0.0585 26 C21 -1.4077 -0.8131 -1.4753 C.3 1 UNK -0.0585 27 H 1.6619 -2.6909 -3.8648 H 1 UNK 0.0235 28 H1 2.8954 -2.2574 -2.7057 H 1 UNK 0.0235 29 H2 2.0391 -1.0091 -3.5783 H 1 UNK 0.0235 30 H3 0.1159 -3.8328 -2.5954 H 1 UNK 0.0235 31 H4 -0.7541 -3.0723 -1.2848 H 1 UNK 0.0235 32 H5 0.8070 -3.8001 -0.9910 H 1 UNK 0.0235 33 H6 1.1501 -1.0395 0.2062 H 1 UNK 0.0424 34 H7 4.5070 1.0582 -1.4559 H 1 UNK 0.0948 35 H8 5.3732 -2.4571 -0.9580 H 1 UNK 0.0622 36 H9 7.1727 -3.5800 -2.1087 H 1 UNK 0.0619 37 H10 8.7117 -2.3150 -3.4712 H 1 UNK 0.0654 38 H11 6.6326 1.2026 -2.5398 H 1 UNK 0.0658 39 H12 9.2615 2.1140 -2.1562 H 1 UNK 0.0654 40 H13 8.8573 4.4788 -2.4186 H 1 UNK 0.0619 41 H14 7.7958 5.3086 -4.4208 H 1 UNK 0.0618 42 H15 7.1311 3.7761 -6.1626 H 1 UNK 0.0619 43 H16 7.5512 1.4122 -5.9174 H 1 UNK 0.0654 44 H17 1.3742 0.4933 -3.1330 H 1 UNK 0.0235 45 H18 0.0381 1.4067 -2.4745 H 1 UNK 0.0235 46 H19 -0.2298 0.2979 -3.7980 H 1 UNK 0.0235 47 H20 -1.4900 -1.6226 -0.7804 H 1 UNK 0.0235 48 H21 -2.0112 -1.0181 -2.3348 H 1 UNK 0.0235 49 H22 -1.7432 0.0908 -1.0113 H 1 UNK 0.0235 @BOND 1 1 2 1 2 2 24 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 24 1 7 5 6 2 8 5 7 1 9 7 8 1 10 8 9 1 11 8 11 1 12 9 10 3 13 11 16 ar 14 11 12 ar 15 12 13 ar 16 13 14 ar 17 14 15 ar 18 15 16 ar 19 15 17 1 20 17 18 1 21 18 23 ar 22 18 19 ar 23 19 20 ar 24 20 21 ar 25 21 22 ar 26 22 23 ar 27 24 25 1 28 24 26 1 29 1 27 1 30 1 28 1 31 1 29 1 32 3 30 1 33 3 31 1 34 3 32 1 35 4 33 1 36 8 34 1 37 12 35 1 38 13 36 1 39 14 37 1 40 16 38 1 41 19 39 1 42 20 40 1 43 21 41 1 44 22 42 1 45 23 43 1 46 25 44 1 47 25 45 1 48 25 46 1 49 26 47 1 50 26 48 1 51 26 49 1