3084331
OpenBabel04211813443D
42 43 0 0 0 0 0 0 0 0999 V2000
2.0155 -2.1640 1.4101 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0365 -1.4610 0.2684 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8207 0.0053 0.7469 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8561 0.8026 -0.2953 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6620 -2.1568 0.1366 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5187 0.0311 -0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7678 -1.4132 -0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7876 -1.4453 -1.0675 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4608 2.3014 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1796 0.6571 0.8702 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2101 -0.8942 -0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8690 -3.6076 -0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2463 0.2733 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7310 2.3189 1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6385 3.3054 0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5448 0.9942 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6430 -2.0127 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3206 -0.0053 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3278 0.8268 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0474 0.0063 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8608 0.5374 -1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2617 -1.3896 -1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8142 -1.9335 -0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8494 -2.4575 -1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -0.8053 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7688 2.6704 -0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2964 1.4810 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8268 -1.6988 -0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6217 -0.5598 -1.7714 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3623 -3.6066 -1.3083 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9024 -4.1043 -0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4891 -4.1403 0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1398 -2.6168 1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4673 3.3445 1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3853 1.9079 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8247 1.7167 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2636 4.2907 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1166 3.3610 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3653 2.9723 0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3082 0.5654 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8536 0.8915 1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4174 2.0502 0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
1 33 1 0 0 0 0
2 3 1 0 0 0 0
2 5 1 0 0 0 0
2 8 1 0 0 0 0
2 17 1 1 0 0 0
3 4 1 0 0 0 0
3 10 1 0 0 0 0
3 18 1 1 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
4 19 1 6 0 0 0
5 1 1 1 0 0 0
5 7 1 0 0 0 0
5 12 1 0 0 0 0
6 7 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 11 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 14 1 0 0 0 0
9 15 1 0 0 0 0
9 26 1 0 0 0 0
10 13 2 0 0 0 0
10 27 1 0 0 0 0
11 13 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 16 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 37 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 40 1 0 0 0 0
16 41 1 0 0 0 0
16 42 1 0 0 0 0
M END