misc contiguous molecules ACD/Labs1001030138 69 75 0 0 0 0 0 0 0 0 2 V2000 11.2421 -6.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2421 -8.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0903 -6.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9386 -6.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9386 -8.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5455 -8.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3938 -8.8222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5456 -6.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3939 -6.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6974 -4.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6973 -6.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3940 -4.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0360 -3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6953 -4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6433 -2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5647 -3.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 -5.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2836 -5.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 -6.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9551 -6.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6525 -5.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 -6.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2023 -6.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 -8.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -8.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9551 -9.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 -9.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -11.0453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6093 -11.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1927 -12.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -14.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2453 -8.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8647 -13.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0927 -4.6360 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4100 -6.0547 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.1699 -5.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1699 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8816 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0506 -7.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7374 -7.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4260 -5.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0506 -5.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8816 -5.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4260 -7.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1722 -6.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0506 -9.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7374 -9.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8816 -9.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4260 -4.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1699 -4.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7374 -6.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6182 -7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7267 -3.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5950 -3.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6182 -9.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2196 -2.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8584 -3.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4616 -7.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4616 -9.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1699 -8.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0631 -6.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8816 -8.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5826 -4.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2667 -11.6407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6813 -10.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5047 -11.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3767 -10.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8527 -7.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4547 -5.4973 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 2 7 1 0 0 0 0 1 2 1 0 0 0 0 1 9 2 0 0 0 0 11 10 1 0 0 0 0 8 11 2 0 0 0 0 9 8 1 0 0 0 0 9 12 1 0 0 0 0 5 2 2 0 0 0 0 12 10 2 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 3 1 0 0 0 0 19 18 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 23 18 1 0 0 0 0 20 19 1 0 0 0 0 20 24 2 0 0 0 0 19 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 29 1 0 0 0 0 31 30 2 0 0 0 0 32 24 1 0 0 0 0 33 30 1 0 0 0 0 34 21 1 0 0 0 0 35 22 1 0 0 0 0 37 36 1 0 0 0 0 41 36 1 0 0 0 0 42 36 1 0 0 0 0 36 50 1 1 0 0 0 39 37 1 0 0 0 0 44 37 1 0 0 0 0 60 37 1 6 0 0 0 43 38 1 0 0 0 0 40 38 1 0 0 0 0 39 38 1 0 0 0 0 62 38 1 6 0 0 0 46 39 1 0 0 0 0 39 61 1 1 0 0 0 47 40 1 0 0 0 0 40 51 1 1 0 0 0 52 40 1 0 0 0 0 45 41 1 0 0 0 0 49 41 1 0 0 0 0 63 41 1 6 0 0 0 43 42 1 0 0 0 0 45 44 1 0 0 0 0 48 46 1 0 0 0 0 55 47 1 0 0 0 0 48 47 1 0 0 0 0 54 49 1 0 0 0 0 56 49 1 6 0 0 0 58 52 1 0 0 0 0 54 53 1 0 0 0 0 57 53 1 0 0 0 0 59 55 1 0 0 0 0 59 58 1 0 0 0 0 64 48 1 0 0 0 0 65 59 1 0 0 0 0 66 65 1 0 0 0 0 67 65 2 0 0 0 0 68 45 1 0 0 0 0 69 52 1 0 0 0 0 M ISO 4 18 12 21 12 22 12 23 12 M END