KEGG:C12560 Saquinavir mesylate ISISHOST10220423362D 1 1.00000 0.00000 15396 56 59 0 1 0 999 V2000 4.0799 -0.2992 0.0000 N 0 0 3 0 0 0 0 0 0 4.7971 0.1180 0.0000 C 0 0 1 0 0 0 0 0 0 4.0764 -1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 3.3626 0.1180 0.0000 C 0 0 0 0 0 0 0 0 0 5.5109 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 4.7971 0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 4.7936 -1.5337 0.0000 C 0 0 2 0 0 0 0 0 0 2.6454 -0.2958 0.0000 C 0 0 2 0 0 0 0 0 0 5.5109 -1.1268 0.0000 C 0 0 1 0 0 0 0 0 0 5.5143 1.3559 0.0000 N 0 0 0 0 0 0 0 0 0 4.0868 1.3594 0.0000 O 0 0 0 0 0 0 0 0 0 4.7902 -2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 1.9281 0.1214 0.0000 C 0 0 2 0 0 0 0 0 0 2.6419 -1.1234 0.0000 O 0 0 0 0 0 0 0 0 0 6.2212 -1.5406 0.0000 C 0 0 0 0 0 0 0 0 0 6.2316 0.9421 0.0000 C 0 0 3 0 0 0 0 0 0 5.5040 -2.7786 0.0000 C 0 0 0 0 0 0 0 0 0 1.9316 0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 1.2109 -0.2889 0.0000 N 0 0 0 0 0 0 0 0 0 6.2143 -2.3682 0.0000 C 0 0 0 0 0 0 0 0 0 6.9488 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 6.2281 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 7.0316 0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 2.6488 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0.5005 0.1249 0.0000 C 0 0 0 0 0 0 0 0 0 3.3661 1.7835 0.0000 C 0 0 0 0 0 0 0 0 0 1.9281 1.7766 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2167 -0.2820 0.0000 C 0 0 1 0 0 0 0 0 0 0.5005 0.9559 0.0000 O 0 0 0 0 0 0 0 0 0 3.3626 2.6145 0.0000 C 0 0 0 0 0 0 0 0 0 1.9247 2.6077 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9339 0.1318 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2202 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 2.6385 3.0283 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6512 -0.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0.4971 -1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3650 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6512 -1.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0.4971 -2.3579 0.0000 N 0 0 0 0 0 0 0 0 0 1.2143 -1.1199 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0857 -0.2751 0.0000 N 0 0 0 0 0 0 0 0 0 -2.3615 0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8029 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0788 1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7960 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5117 -0.2751 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5117 1.3835 0.0000 C 0 0 0 0 0 0 0 0 0 -5.2279 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 -5.2279 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 4.0695 -1.9441 0.0000 H 0 0 0 0 0 0 0 0 0 6.2212 -0.7061 0.0000 H 0 0 0 0 0 0 0 0 0 10.1823 -0.2083 0.0000 S 0 0 3 0 0 0 0 0 0 9.3582 -0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 11.0065 -0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 10.1823 0.6227 0.0000 O 0 0 0 0 0 0 0 0 0 10.1789 -1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 6 11 2 0 0 0 7 12 1 0 0 0 8 13 1 0 0 0 8 14 1 1 0 0 9 15 1 0 0 0 10 16 1 0 0 0 12 17 1 0 0 0 13 18 1 1 0 0 13 19 1 0 0 0 15 20 1 0 0 0 16 21 1 0 0 0 16 22 1 0 0 0 16 23 1 0 0 0 18 24 1 0 0 0 19 25 1 0 0 0 24 26 2 0 0 0 24 27 1 0 0 0 25 28 1 0 0 0 25 29 2 0 0 0 26 30 1 0 0 0 27 31 2 0 0 0 28 32 1 0 0 0 28 33 1 6 0 0 30 34 2 0 0 0 32 35 1 0 0 0 33 36 1 0 0 0 35 37 1 0 0 0 35 38 2 0 0 0 36 39 1 0 0 0 36 40 2 0 0 0 37 41 2 0 0 0 37 42 1 0 0 0 41 43 1 0 0 0 42 44 2 0 0 0 43 45 1 0 0 0 43 46 2 0 0 0 45 47 2 0 0 0 46 48 1 0 0 0 47 49 1 0 0 0 7 9 1 0 0 0 17 20 1 0 0 0 31 34 1 0 0 0 44 45 1 0 0 0 48 49 2 0 0 0 7 50 1 1 0 0 9 51 1 1 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 6 0 0 3 7 1 0 0 0 52 53 1 0 0 0 52 54 1 0 0 0 52 55 2 0 0 0 52 56 2 0 0 0 M END