ChEBI Marvin 02211114052D 59 61 0 0 1 0 999 V2000 14.9153 -12.9904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2479 -12.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6604 -13.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5804 -12.9904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8354 -13.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1453 -14.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1696 -17.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9124 -17.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 -17.4439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7407 -17.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0262 -17.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4835 -15.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7407 -16.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4835 -14.9689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0546 -14.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 -14.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 -13.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0710 -12.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4835 -13.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 -12.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 -13.7313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0545 -13.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9124 -13.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5624 -13.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2124 -13.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7374 -12.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7374 -14.1438 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.3874 -12.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3874 -14.1438 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7374 -13.3188 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.3874 -13.3188 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.7958 -12.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3504 -14.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5254 -15.2675 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.1754 -15.2675 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.3504 -15.2675 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3504 -16.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6999 -12.7355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3131 -13.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0355 -11.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0275 -12.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3131 -14.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8560 -12.0680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7420 -13.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0276 -14.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7420 -14.1124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4564 -12.8749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6269 -17.0314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3414 -18.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3414 -17.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0558 -17.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7703 -17.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4848 -17.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1993 -17.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9137 -17.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6282 -17.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3427 -17.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0571 -17.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7716 -17.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 3 6 1 6 0 0 0 4 32 1 1 0 0 0 5 4 1 0 0 0 0 5 33 1 6 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 10 9 1 0 0 0 0 13 10 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 19 17 1 0 0 0 0 17 23 1 0 0 0 0 19 18 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 6 0 0 0 23 30 1 0 0 0 0 30 24 1 0 0 0 0 24 31 1 0 0 0 0 31 25 1 0 0 0 0 32 25 1 0 0 0 0 30 26 2 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 31 29 1 0 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 36 37 2 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 39 2 0 0 0 0 43 40 2 0 0 0 0 44 41 2 0 0 0 0 43 41 1 0 0 0 0 45 42 1 0 0 0 0 46 44 1 0 0 0 0 47 44 1 0 0 0 0 46 45 2 0 0 0 0 48 50 1 0 0 0 0 50 49 2 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 51 52 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 4 27 -1 29 -1 34 -1 35 -1 M END