D0IC5F
-OEChem-04152110082D
58 63 0 1 0 0 0 0 0999 V2000
4.5981 -3.9022 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.8294 -0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.9022 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.5981 -3.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -3.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7587 -1.4511 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0
6.2878 -0.9755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1114 -1.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9351 -0.9755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -1.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8373 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2878 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1114 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1899 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9351 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.4022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2878 -2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1114 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7147 -1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1114 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2878 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 4.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6578 -2.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2265 -1.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6476 -1.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9740 0.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2776 -0.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8975 -2.0553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3235 -2.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7220 -2.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7820 -0.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0969 0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5456 -0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1471 0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8892 -3.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6863 -3.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5328 -2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3074 -1.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8966 -1.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6483 1.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2878 2.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 4.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 4.7122 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 13 1 0 0 0 0
2 22 1 0 0 0 0
19 3 1 6 0 0 0
4 25 1 0 0 0 0
4 27 1 0 0 0 0
8 27 2 0 0 0 0
9 12 1 0 0 0 0
9 17 1 0 0 0 0
9 23 1 0 0 0 0
9 39 1 0 0 0 0
10 11 1 0 0 0 0
10 13 1 0 0 0 0
10 14 1 1 0 0 0
10 15 1 0 0 0 0
11 12 1 0 0 0 0
11 16 1 0 0 0 0
11 34 1 1 0 0 0
12 18 1 0 0 0 0
12 35 1 6 0 0 0
13 19 1 0 0 0 0
13 36 1 1 0 0 0
14 17 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 21 2 0 0 0 0
15 22 1 0 0 0 0
16 20 1 0 0 0 0
16 40 1 0 0 0 0
16 41 1 0 0 0 0
17 42 1 0 0 0 0
17 43 1 0 0 0 0
18 21 1 0 0 0 0
18 44 1 0 0 0 0
18 45 1 0 0 0 0
19 20 1 0 0 0 0
19 46 1 0 0 0 0
20 47 1 0 0 0 0
20 48 1 0 0 0 0
21 24 1 0 0 0 0
22 25 2 0 0 0 0
23 49 1 0 0 0 0
23 50 1 0 0 0 0
23 51 1 0 0 0 0
24 26 2 0 0 0 0
24 52 1 0 0 0 0
25 26 1 0 0 0 0
26 53 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
29 31 1 0 0 0 0
29 54 1 0 0 0 0
30 32 2 0 0 0 0
30 55 1 0 0 0 0
31 33 2 0 0 0 0
31 56 1 0 0 0 0
32 33 1 0 0 0 0
32 57 1 0 0 0 0
33 58 1 0 0 0 0
M CHG 2 5 -1 9 1
M END
$$$$