From 3cd136861c68b8c24cc653c903c620d55be4b294 Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Mon, 2 Apr 2012 09:18:14 +0200 Subject: Remove PC descriptor --- java/resources/contigous.mol | 150 ------------------------------------------- 1 file changed, 150 deletions(-) delete mode 100644 java/resources/contigous.mol (limited to 'java/resources/contigous.mol') diff --git a/java/resources/contigous.mol b/java/resources/contigous.mol deleted file mode 100644 index a3dc0b2..0000000 --- a/java/resources/contigous.mol +++ /dev/null @@ -1,150 +0,0 @@ -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 -- cgit v1.2.3