@MOLECULE FDBD03066 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.8035 -2.5974 -1.4847 C.3 1 UNK -0.0595 2 C1 1.7986 -1.0931 -1.2058 C.3 1 UNK -0.0075 3 C2 2.9047 -0.4196 -2.0207 C.3 1 UNK -0.0595 4 C3 0.4429 -0.5052 -1.6025 C.3 1 UNK 0.1547 5 C4 0.4658 1.0112 -1.4006 C.3 1 UNK 0.2104 6 N 0.8602 1.3145 -0.0226 N.ar 1 UNK -0.0682 7 C5 1.8709 2.1093 0.3698 C.ar 1 UNK 0.2726 8 N1 1.8938 2.1210 1.6778 N.ar 1 UNK -0.2928 9 C6 0.9176 1.3491 2.1539 C.ar 1 UNK 0.1651 10 N2 0.2538 0.8375 1.1508 N.ar 1 UNK 0.0139 11 C7 0.1656 -0.8149 -3.0510 C.ar 1 UNK 0.0021 12 C8 0.9036 -0.1953 -4.0429 C.ar 1 UNK -0.0516 13 C9 0.6515 -0.4773 -5.3713 C.ar 1 UNK -0.0190 14 C10 -0.3434 -1.3836 -5.7102 C.ar 1 UNK 0.1290 15 C11 -1.0823 -2.0039 -4.7131 C.ar 1 UNK -0.0073 16 C12 -0.8223 -1.7223 -3.3858 C.ar 1 UNK 0.0644 17 C13 -1.6241 -2.3961 -2.3022 C.3 1 UNK 0.4179 18 F -2.3860 -3.4286 -2.8594 F 1 UNK -0.1659 19 F1 -0.7566 -2.9238 -1.3398 F 1 UNK -0.1659 20 F2 -2.4741 -1.4613 -1.7014 F 1 UNK -0.1659 21 O -0.5938 -1.6625 -7.0163 O.3 1 UNK -0.4560 22 C14 0.1166 -0.9902 -7.9598 C.ar 1 UNK 0.1285 23 C15 1.4141 -1.3790 -8.2606 C.ar 1 UNK -0.0180 24 C16 2.1345 -0.6943 -9.2199 C.ar 1 UNK -0.0399 25 C17 1.5630 0.3787 -9.8808 C.ar 1 UNK 0.0412 26 C18 0.2692 0.7681 -9.5823 C.ar 1 UNK -0.0399 27 C19 -0.4566 0.0824 -8.6277 C.ar 1 UNK -0.0180 28 Cl 2.4707 1.2380 -11.0856 Cl 1 UNK -0.0835 29 O1 -0.5817 -1.0788 -0.7881 O.3 1 UNK -0.3772 30 H 2.7516 -3.0085 -1.2073 H 1 UNK 0.0233 31 H1 1.6323 -2.7674 -2.5271 H 1 UNK 0.0233 32 H2 1.0300 -3.0683 -0.9148 H 1 UNK 0.0233 33 H3 1.9698 -0.9231 -0.1633 H 1 UNK 0.0329 34 H4 2.7335 -0.5895 -3.0632 H 1 UNK 0.0233 35 H5 3.8528 -0.8307 -1.7433 H 1 UNK 0.0233 36 H6 2.9013 0.6324 -1.8255 H 1 UNK 0.0233 37 H7 -0.5088 1.4108 -1.5888 H 1 UNK 0.1089 38 H8 1.1683 1.4506 -2.0776 H 1 UNK 0.1089 39 H9 2.5161 2.6209 -0.2522 H 1 UNK 0.1623 40 H10 2.5362 2.6248 2.2280 H 1 UNK 0.1720 41 H11 0.7180 1.1823 3.1526 H 1 UNK 0.1090 42 H12 1.6434 0.4784 -3.7903 H 1 UNK 0.0622 43 H13 1.2024 -0.0145 -6.1111 H 1 UNK 0.0654 44 H14 -1.8255 -2.6750 -4.9627 H 1 UNK 0.0660 45 H15 1.8407 -2.1792 -7.7679 H 1 UNK 0.0655 46 H16 3.0996 -0.9832 -9.4439 H 1 UNK 0.0633 47 H17 -0.1538 1.5713 -10.0732 H 1 UNK 0.0633 48 H18 -1.4245 0.3677 -8.4115 H 1 UNK 0.0655 49 H19 -0.4032 -0.8794 0.1443 H 1 UNK 0.2109 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 4 11 1 6 4 29 1 7 5 6 1 8 6 10 ar 9 6 7 ar 10 7 8 ar 11 8 9 ar 12 9 10 ar 13 11 16 ar 14 11 12 ar 15 12 13 ar 16 13 14 ar 17 14 15 ar 18 14 21 1 19 15 16 ar 20 16 17 1 21 17 18 1 22 17 19 1 23 17 20 1 24 21 22 1 25 22 27 ar 26 22 23 ar 27 23 24 ar 28 24 25 ar 29 25 26 ar 30 25 28 1 31 26 27 ar 32 1 30 1 33 1 31 1 34 1 32 1 35 2 33 1 36 3 34 1 37 3 35 1 38 3 36 1 39 5 37 1 40 5 38 1 41 7 39 1 42 8 40 1 43 9 41 1 44 12 42 1 45 13 43 1 46 15 44 1 47 23 45 1 48 24 46 1 49 26 47 1 50 27 48 1 51 29 49 1