recap -ISIS- 2D Used JOELib chemistry kernel (expert systems) ID is 715333816 73 76 0 0 0 0 0 0 0 0 2 V2000 6.5740 -6.8907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 -5.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1953 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -8.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 -6.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0073 -5.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3740 -3.4073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0213 -5.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4407 -4.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6193 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7480 -4.9907 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 19.8740 -3.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2173 -4.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7740 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5313 -7.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7453 -8.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3047 -8.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2667 -10.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9100 -10.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2713 -9.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8527 -10.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -10.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -12.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7640 -11.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -12.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 -13.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 -14.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 -14.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1953 -15.9980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1693 -16.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4093 -15.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 -10.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3953 -9.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 -9.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3307 -7.8407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -10.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 -7.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2480 -13.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4260 -12.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6927 -13.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1240 -13.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3387 -15.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8720 -14.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5433 -15.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4553 -14.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8120 -12.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6740 -11.8433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1433 -13.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6887 -12.6287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9407 -15.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9673 -11.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2073 -9.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9173 -8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8787 -6.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6767 -5.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6887 -4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2340 -3.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4980 -3.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9667 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8287 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7407 -1.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3073 -3.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4787 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8573 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4027 -1.0640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6313 -1.7480 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.8980 -0.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3167 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5833 -1.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8213 -2.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5933 -0.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5407 -10.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5027 -8.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 1 0 0 0 0 20 4 1 0 0 0 0 21 20 2 0 0 0 0 22 20 1 0 0 0 0 23 22 2 0 0 0 0 24 21 1 0 0 0 0 25 24 2 0 0 0 0 25 23 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 26 2 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 31 27 2 0 0 0 0 32 21 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 34 2 0 0 0 0 37 35 1 0 0 0 0 38 23 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 2 0 0 0 0 42 40 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 18 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 48 2 0 0 0 0 51 49 1 0 0 0 0 52 51 1 0 0 0 0 53 52 2 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 1 0 0 0 0 57 56 1 0 0 0 0 58 56 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 61 57 1 0 0 0 0 62 58 2 0 0 0 0 63 9 1 0 0 0 0 64 63 1 0 0 0 0 65 64 1 0 0 0 0 66 65 1 0 0 0 0 67 66 1 0 0 0 0 68 67 1 0 0 0 0 69 68 1 0 0 0 0 70 66 2 0 0 0 0 71 66 2 0 0 0 0 72 19 1 0 0 0 0 73 72 1 0 0 0 0 M CHG 1 11 1 M END