@MOLECULE FDBD02989 48 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5470 0.6497 -0.3808 C.3 1 UNK -0.0186 2 C1 0.4309 -0.8413 -0.1948 C.2 1 UNK 0.0841 3 N 0.3201 -1.3380 0.9941 N.2 1 UNK -0.0890 4 O 0.3077 -0.4809 2.1212 O.2 1 UNK -0.3888 5 C2 0.1800 -1.1642 3.3697 C.3 1 UNK 0.1435 6 C3 0.1780 -0.1605 4.4938 C.ar 1 UNK 0.0017 7 C4 0.3189 1.1848 4.2198 C.ar 1 UNK -0.0546 8 C5 0.3174 2.1072 5.2505 C.ar 1 UNK -0.0614 9 C6 0.1747 1.6880 6.5615 C.ar 1 UNK -0.0611 10 C7 0.0335 0.3458 6.8479 C.ar 1 UNK -0.0519 11 C8 0.0281 -0.5886 5.8123 C.ar 1 UNK 0.0171 12 C9 -0.1231 -2.0316 6.1132 C.2 1 UNK 0.1936 13 N1 0.8074 -2.6601 6.7712 N.2 1 UNK -0.0775 14 O1 2.0246 -2.0043 7.0768 O.2 1 UNK -0.3964 15 C10 2.9540 -2.8122 7.8017 C.3 1 UNK 0.1072 16 C11 -1.3327 -2.7583 5.6654 C.2 1 UNK 0.3613 17 O2 -2.2465 -2.1525 5.1435 O.2 1 UNK -0.2431 18 O3 -1.4195 -4.0914 5.8369 O.3 1 UNK -0.4633 19 C12 -2.6344 -4.7379 5.3738 C.3 1 UNK 0.0820 20 C13 0.4438 -1.7350 -1.3700 C.ar 1 UNK -0.0004 21 C14 0.5692 -1.2025 -2.6547 C.ar 1 UNK -0.0528 22 C15 0.5805 -2.0431 -3.7482 C.ar 1 UNK -0.0606 23 C16 0.4680 -3.4113 -3.5742 C.ar 1 UNK -0.0501 24 C17 0.3431 -3.9455 -2.3043 C.ar 1 UNK 0.0554 25 C18 0.3366 -3.1165 -1.2013 C.ar 1 UNK -0.0412 26 C19 0.2206 -5.4368 -2.1247 C.3 1 UNK 0.4174 27 F 0.2585 -6.0618 -3.3757 F 1 UNK -0.1659 28 F1 1.2815 -5.9005 -1.3394 F 1 UNK -0.1659 29 F2 -0.9917 -5.7323 -1.4922 F 1 UNK -0.1659 30 H 0.5194 1.1315 0.5742 H 1 UNK 0.0294 31 H1 -0.2678 0.9989 -0.9801 H 1 UNK 0.0294 32 H2 1.4717 0.8773 -0.8686 H 1 UNK 0.0294 33 H3 1.0027 -1.8371 3.4938 H 1 UNK 0.0775 34 H4 -0.7369 -1.7156 3.3823 H 1 UNK 0.0775 35 H5 0.4256 1.5032 3.2440 H 1 UNK 0.0622 36 H6 0.4231 3.1121 5.0409 H 1 UNK 0.0618 37 H7 0.1739 2.3807 7.3265 H 1 UNK 0.0618 38 H8 -0.0679 0.0338 7.8264 H 1 UNK 0.0624 39 H9 3.8431 -2.2485 7.9931 H 1 UNK 0.0687 40 H10 3.1988 -3.6793 7.2246 H 1 UNK 0.0687 41 H11 2.5160 -3.1137 8.7302 H 1 UNK 0.0687 42 H12 -2.5757 -5.7885 5.5681 H 1 UNK 0.0661 43 H13 -2.7463 -4.5754 4.3221 H 1 UNK 0.0661 44 H14 -3.4765 -4.3262 5.8899 H 1 UNK 0.0661 45 H15 0.6532 -0.1823 -2.7857 H 1 UNK 0.0624 46 H16 0.6731 -1.6508 -4.6982 H 1 UNK 0.0618 47 H17 0.4773 -4.0360 -4.3956 H 1 UNK 0.0623 48 H18 0.2527 -3.5169 -0.2538 H 1 UNK 0.0629 @BOND 1 1 2 1 2 2 3 2 3 2 20 1 4 3 4 1 5 4 5 1 6 5 6 1 7 6 11 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 9 10 ar 12 10 11 ar 13 11 12 1 14 12 13 2 15 12 16 1 16 13 14 1 17 14 15 1 18 16 17 2 19 16 18 1 20 18 19 1 21 20 25 ar 22 20 21 ar 23 21 22 ar 24 22 23 ar 25 23 24 ar 26 24 25 ar 27 24 26 1 28 26 27 1 29 26 28 1 30 26 29 1 31 1 30 1 32 1 31 1 33 1 32 1 34 5 33 1 35 5 34 1 36 7 35 1 37 8 36 1 38 9 37 1 39 10 38 1 40 15 39 1 41 15 40 1 42 15 41 1 43 19 42 1 44 19 43 1 45 19 44 1 46 21 45 1 47 22 46 1 48 23 47 1 49 25 48 1