B7Y9IF
-OEChem-04012118082D
44 46 0 1 0 0 0 0 0999 V2000
10.2244 -1.6728 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.3008 -0.2606 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.8887 -0.1842 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3310 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 3.7951 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 0.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 -1.4010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8122 -3.2058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3958 -2.4010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 1.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1340 -1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1340 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8660 -1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8660 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 -0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 -0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.3310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8122 -1.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5566 -0.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 2.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9219 -1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5234 -2.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5234 -2.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9219 -3.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6015 -3.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3985 -3.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9174 -0.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6077 -1.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6900 0.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4174 0.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1077 -0.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0049 -3.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 1.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1200 1.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6200 2.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 2.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 3.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 21 1 0 0 0 0
3 21 1 0 0 0 0
4 23 1 0 0 0 0
5 25 1 0 0 0 0
6 17 2 0 0 0 0
7 11 1 0 0 0 0
7 14 1 0 0 0 0
7 17 1 0 0 0 0
8 9 1 0 0 0 0
8 15 1 0 0 0 0
8 39 1 0 0 0 0
9 19 2 0 0 0 0
18 10 1 1 0 0 0
10 40 1 0 0 0 0
10 41 1 0 0 0 0
11 12 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 13 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 15 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 15 2 0 0 0 0
14 19 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
18 20 1 0 0 0 0
18 36 1 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 26 1 0 0 0 0
24 25 2 0 0 0 0
24 42 1 0 0 0 0
25 27 1 0 0 0 0
26 27 2 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
M END
$$$$