D0I8PQ
-OEChem-10101305022D
48 47 0 1 0 0 0 0 0999 V2000
7.7331 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8671 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7365 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5335 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8112 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2097 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5957 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7987 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8250 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4450 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4662 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
1 23 1 0 0 0 0
2 18 2 0 0 0 0
3 20 2 0 0 0 0
4 21 1 0 0 0 0
4 43 1 0 0 0 0
5 21 2 0 0 0 0
6 13 1 0 0 0 0
6 47 1 0 0 0 0
7 23 2 0 0 0 0
8 25 1 0 0 0 0
8 48 1 0 0 0 0
9 25 2 0 0 0 0
14 10 1 6 0 0 0
10 18 1 0 0 0 0
10 33 1 0 0 0 0
11 20 1 0 0 0 0
11 22 1 0 0 0 0
11 36 1 0 0 0 0
17 12 1 1 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
13 23 1 0 0 0 0
13 24 1 0 0 0 0
14 19 1 0 0 0 0
14 20 1 0 0 0 0
14 27 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 28 1 0 0 0 0
15 29 1 0 0 0 0
16 18 1 0 0 0 0
16 30 1 0 0 0 0
16 31 1 0 0 0 0
17 21 1 0 0 0 0
17 32 1 0 0 0 0
19 34 1 0 0 0 0
19 35 1 0 0 0 0
22 25 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
24 26 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
M END
$$$$