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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
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