KEGG:C13663 Doxycycline hyclate -ISIS- 03080510422D 74 76 0 0 0 0 0 0 0 0999 V2000 8.9667 -11.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6833 -11.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 -11.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8208 -11.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6027 -11.2159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5924 -12.0346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3213 -10.8152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8978 -10.7980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8806 -12.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 -12.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 -11.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1791 -11.2022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1722 -12.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 -13.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0117 -12.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2793 -13.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7442 -10.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5284 -10.7876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5353 -12.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -12.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2403 -11.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2437 -12.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5353 -13.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4422 -12.0760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7097 -13.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9624 -10.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9589 -12.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 -11.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 -12.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9589 -13.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5253 -9.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3348 -9.9820 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0601 -9.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 -9.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -10.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -10.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -9.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -12.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -11.4750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6027 -11.2159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5924 -12.0346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3213 -10.8152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8978 -10.7980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8806 -12.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 -12.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 -11.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1791 -11.2022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1722 -12.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 -13.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0117 -12.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2793 -13.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7442 -10.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5284 -10.7876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5353 -12.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -12.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2403 -11.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2437 -12.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5353 -13.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4422 -12.0760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7097 -13.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9624 -10.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9589 -12.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 -11.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 -12.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9589 -13.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5253 -9.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3348 -9.9820 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0601 -9.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 -9.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -10.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -10.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -9.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -12.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -11.4750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6 9 1 0 0 0 0 12 36 1 6 0 0 0 6 10 1 0 0 0 0 8 37 1 6 0 0 0 7 11 1 0 0 0 0 6 38 1 6 0 0 0 8 12 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 15 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 21 22 2 0 0 0 0 28 29 1 0 0 0 0 18 31 1 6 0 0 0 7 32 1 6 0 0 0 5 6 1 0 0 0 0 32 33 1 0 0 0 0 5 7 1 0 0 0 0 32 34 1 0 0 0 0 5 8 1 0 0 0 0 44 48 2 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 45 51 2 0 0 0 0 46 52 1 0 0 0 0 47 53 1 0 0 0 0 48 54 1 0 0 0 0 50 55 1 0 0 0 0 53 56 1 0 0 0 0 54 57 1 0 0 0 0 54 58 2 0 0 0 0 55 59 1 0 0 0 0 55 60 2 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 61 63 2 0 0 0 0 62 64 2 0 0 0 0 62 65 1 0 0 0 0 46 50 2 0 0 0 0 47 48 1 0 0 0 0 56 57 2 0 0 0 0 63 64 1 0 0 0 0 53 66 1 6 0 0 0 42 67 1 6 0 0 0 40 41 1 0 0 0 0 67 68 1 0 0 0 0 40 42 1 0 0 0 0 67 69 1 0 0 0 0 40 43 1 0 0 0 0 40 70 1 6 0 0 0 41 44 1 0 0 0 0 47 71 1 6 0 0 0 41 45 1 0 0 0 0 43 72 1 6 0 0 0 42 46 1 0 0 0 0 41 73 1 6 0 0 0 43 47 1 0 0 0 0 5 35 1 6 0 0 0 M STY 1 1 MUL M SLB 1 1 1 M SAL 1 15 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 M SAL 1 15 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 M SAL 1 15 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 M SAL 1 15 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 M SAL 1 10 65 66 67 68 69 70 71 72 73 74 M SPA 1 15 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 M SPA 1 15 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 M SPA 1 5 35 36 37 38 39 M SDI 1 4 -3.1300 -13.9600 -3.1300 -9.0200 M SDI 1 4 7.2600 -9.0200 7.2600 -13.9600 M SMT 1 2 M END