ChEBI
Mrv1572001071617152D
61 67 0 0 1 0 999 V2000
9.5939 -14.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8793 -15.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8793 -15.8704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5939 -16.2826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3085 -15.8704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0689 -16.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7834 -15.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7834 -15.0459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0689 -14.6336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.3085 -15.0459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0689 -13.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7834 -13.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5438 -13.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5438 -14.6336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.2584 -15.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9730 -14.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9730 -13.8091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.2584 -13.3969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.2584 -12.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9730 -12.1601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.7333 -12.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7333 -13.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0717 -16.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0520 -16.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3085 -14.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7918 -14.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5522 -15.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9821 -12.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4874 -11.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4585 -11.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3085 -16.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0689 -15.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2584 -14.0657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0731 -10.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.1829 -11.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3581 -13.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1464 -16.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4306 -16.6981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7149 -16.2849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4306 -17.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9992 -16.6982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7149 -17.9378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9992 -17.5245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7149 -15.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2835 -16.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2835 -17.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7149 -18.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9992 -19.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7149 -14.6320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9991 -14.2188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4306 -14.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9991 -13.3923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4305 -13.3923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7148 -12.9791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2834 -14.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2834 -12.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7148 -12.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1462 -12.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1462 -12.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4344 -19.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7301 -13.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
9 10 1 0 0 0 0
5 10 1 0 0 0 0
10 25 1 1 0 0 0
4 5 1 0 0 0 0
6 5 1 0 0 0 0
5 31 1 6 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
4 23 1 6 0 0 0
4 24 1 1 0 0 0
3 2 1 0 0 0 0
11 9 1 0 0 0 0
8 9 1 0 0 0 0
9 32 1 6 0 0 0
7 8 1 0 0 0 0
14 8 1 0 0 0 0
8 26 1 1 0 0 0
7 6 1 0 0 0 0
12 11 1 0 0 0 0
13 12 2 0 0 0 0
15 14 1 0 0 0 0
13 14 1 0 0 0 0
14 27 1 6 0 0 0
18 13 1 0 0 0 0
16 15 1 0 0 0 0
17 16 1 0 0 0 0
19 18 1 0 0 0 0
17 18 1 0 0 0 0
18 33 1 1 0 0 0
22 17 1 0 0 0 0
17 28 1 1 0 0 0
20 19 1 0 0 0 0
21 20 1 0 0 0 0
20 30 1 1 0 0 0
20 29 1 6 0 0 0
21 22 1 0 0 0 0
34 30 2 0 0 0 0
35 30 1 0 0 0 0
36 11 2 0 0 0 0
3 37 1 1 0 0 0
38 39 1 0 0 0 0
38 40 1 0 0 0 0
39 41 1 0 0 0 0
40 42 1 0 0 0 0
41 43 1 0 0 0 0
42 43 1 0 0 0 0
38 37 1 1 0 0 0
39 44 1 1 0 0 0
41 45 1 6 0 0 0
43 46 1 1 0 0 0
42 47 1 6 0 0 0
48 47 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
50 52 1 0 0 0 0
51 53 1 0 0 0 0
52 54 1 0 0 0 0
53 54 1 0 0 0 0
49 44 1 1 0 0 0
50 55 1 6 0 0 0
52 56 1 1 0 0 0
54 57 1 6 0 0 0
53 58 1 1 0 0 0
59 58 1 0 0 0 0
60 47 2 0 0 0 0
61 58 2 0 0 0 0
M END