D02YXR
-OEChem-10101305022D
52 56 0 1 0 0 0 0 0999 V2000
3.0000 -3.1521 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2314 0.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.1522 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.0000 -3.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -3.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 4.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1606 -0.7011 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.6897 -0.2255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5133 -0.7011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3370 -0.2255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2392 0.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.7011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6897 0.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5918 0.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3370 0.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5133 1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.6522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5133 -1.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1166 -0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3845 -1.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6897 -2.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5133 2.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 2.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6897 2.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 4.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0597 -1.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6284 -1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3760 1.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6796 0.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0496 -0.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1840 0.6557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4989 1.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9476 0.6179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5490 1.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -2.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 -1.9622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9347 -1.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7093 -1.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2986 -0.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7802 -1.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5233 -2.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9888 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6897 -2.7477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 2.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6897 3.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4440 4.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 4.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8240 3.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 1 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
2 14 1 0 0 0 0
2 21 1 0 0 0 0
19 3 1 6 0 0 0
4 26 1 0 0 0 0
4 28 1 0 0 0 0
8 28 2 0 0 0 0
9 12 1 0 0 0 0
9 16 1 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
10 11 1 0 0 0 0
10 13 1 1 0 0 0
10 14 1 0 0 0 0
10 15 1 0 0 0 0
11 12 1 0 0 0 0
11 20 1 0 0 0 0
11 30 1 1 0 0 0
12 17 1 0 0 0 0
12 31 1 6 0 0 0
13 16 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 19 1 0 0 0 0
14 34 1 1 0 0 0
15 18 2 0 0 0 0
15 21 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
17 18 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
18 25 1 0 0 0 0
19 24 1 0 0 0 0
19 39 1 0 0 0 0
20 24 2 0 0 0 0
20 40 1 0 0 0 0
21 26 2 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
22 43 1 0 0 0 0
23 44 1 0 0 0 0
23 45 1 0 0 0 0
23 46 1 0 0 0 0
24 47 1 0 0 0 0
25 27 2 0 0 0 0
25 48 1 0 0 0 0
26 27 1 0 0 0 0
27 49 1 0 0 0 0
28 29 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
29 52 1 0 0 0 0
M CHG 2 5 -1 9 1
M END
$$$$