B9XML2
-OEChem-04022103262D
103106 0 1 0 0 0 0 0999 V2000
5.1350 -2.5600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -7.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -7.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1350 -2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1350 -2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -6.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 7.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 7.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8671 1.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0010 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -7.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -8.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 6.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 7.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2097 -4.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8112 -3.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6550 -3.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2565 -4.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3437 -3.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9451 -2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8112 -6.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2097 -5.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2565 -5.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6550 -6.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2565 -2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6550 -3.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7365 0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5335 0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4776 -1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0791 -0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9264 2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3249 1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 3.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 3.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 -4.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 -3.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8112 2.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2097 3.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9791 -8.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -9.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2191 -8.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -6.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 8.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 7.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 8.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 11 1 0 0 0 0
1 35 1 0 0 0 0
2 33 1 0 0 0 0
2 38 1 0 0 0 0
3 32 2 0 0 0 0
4 33 2 0 0 0 0
5 34 2 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
8 33 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
9 81 1 0 0 0 0
31 10 1 1 0 0 0
10 32 1 0 0 0 0
10 82 1 0 0 0 0
30 11 1 1 0 0 0
11 83 1 0 0 0 0
12 34 1 0 0 0 0
12 36 1 0 0 0 0
12 84 1 0 0 0 0
13 50 1 0 0 0 0
13101 1 0 0 0 0
13102 1 0 0 0 0
14 50 2 0 0 0 0
14103 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 0 0 0 0
15 51 1 0 0 0 0
16 20 1 0 0 0 0
16 52 1 0 0 0 0
16 53 1 0 0 0 0
17 21 1 0 0 0 0
17 54 1 0 0 0 0
17 55 1 0 0 0 0
18 22 1 0 0 0 0
18 56 1 0 0 0 0
18 57 1 0 0 0 0
19 23 1 0 0 0 0
19 24 1 0 0 0 0
19 25 1 0 0 0 0
19 58 1 0 0 0 0
20 59 1 0 0 0 0
20 60 1 0 0 0 0
21 61 1 0 0 0 0
21 62 1 0 0 0 0
22 26 1 0 0 0 0
22 63 1 0 0 0 0
22 64 1 0 0 0 0
23 27 1 0 0 0 0
23 65 1 0 0 0 0
23 66 1 0 0 0 0
24 28 1 0 0 0 0
24 67 1 0 0 0 0
24 68 1 0 0 0 0
25 29 1 0 0 0 0
25 69 1 0 0 0 0
25 70 1 0 0 0 0
26 30 1 0 0 0 0
26 71 1 0 0 0 0
26 72 1 0 0 0 0
27 31 1 0 0 0 0
27 73 1 0 0 0 0
27 74 1 0 0 0 0
28 75 1 0 0 0 0
28 76 1 0 0 0 0
29 77 1 0 0 0 0
29 78 1 0 0 0 0
30 32 1 0 0 0 0
30 79 1 0 0 0 0
31 34 1 0 0 0 0
31 80 1 0 0 0 0
35 37 1 0 0 0 0
35 85 1 0 0 0 0
35 86 1 0 0 0 0
36 39 1 0 0 0 0
36 87 1 0 0 0 0
36 88 1 0 0 0 0
37 40 2 0 0 0 0
37 41 1 0 0 0 0
38 89 1 0 0 0 0
38 90 1 0 0 0 0
38 91 1 0 0 0 0
39 42 2 0 0 0 0
39 43 1 0 0 0 0
40 44 1 0 0 0 0
40 92 1 0 0 0 0
41 45 2 0 0 0 0
41 93 1 0 0 0 0
42 47 1 0 0 0 0
42 94 1 0 0 0 0
43 48 2 0 0 0 0
43 95 1 0 0 0 0
44 46 2 0 0 0 0
44 96 1 0 0 0 0
45 46 1 0 0 0 0
45 97 1 0 0 0 0
46 98 1 0 0 0 0
47 49 2 0 0 0 0
47 99 1 0 0 0 0
48 49 1 0 0 0 0
48100 1 0 0 0 0
49 50 1 0 0 0 0
M END
$$$$