B3QSG2
-OEChem-04012116242D
63 66 0 1 0 0 0 0 0999 V2000
4.4026 -0.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7485 -2.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7066 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7366 1.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5968 5.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -2.7278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7523 0.1165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -4.3372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3724 1.2893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.5325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9422 -0.4699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9405 -1.4699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9917 -0.1592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9889 -1.7773 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.6844 0.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6495 1.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -3.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4595 1.6976 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7320 -4.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3567 2.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1667 3.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0639 4.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0796 2.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -6.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8740 4.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8896 3.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7868 4.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4940 6.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4942 -0.7523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4934 -1.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3795 -0.0612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4266 -2.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3182 -0.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2985 0.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7071 1.4119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3154 -1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 -3.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9617 2.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5160 1.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0859 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7604 2.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4361 0.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8746 1.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4980 4.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1433 2.2536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -5.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -6.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -6.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 -6.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -6.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0420 -5.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8102 5.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4556 3.2036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1107 6.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4303 6.6492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8773 5.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 16 1 0 0 0 0
14 2 1 1 0 0 0
2 42 1 0 0 0 0
3 17 1 0 0 0 0
3 45 1 0 0 0 0
4 19 2 0 0 0 0
5 33 1 0 0 0 0
5 34 1 0 0 0 0
6 16 1 0 0 0 0
6 18 1 0 0 0 0
6 20 1 0 0 0 0
13 7 1 1 0 0 0
7 19 1 0 0 0 0
7 39 1 0 0 0 0
8 20 2 0 0 0 0
8 22 1 0 0 0 0
9 18 1 0 0 0 0
9 26 2 0 0 0 0
10 21 1 0 0 0 0
10 48 1 0 0 0 0
10 49 1 0 0 0 0
11 24 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 24 2 0 0 0 0
12 26 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 35 1 0 0 0 0
14 16 1 0 0 0 0
14 36 1 0 0 0 0
15 17 1 6 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
18 22 2 0 0 0 0
19 21 1 0 0 0 0
20 43 1 0 0 0 0
21 23 1 0 0 0 0
21 44 1 0 0 0 0
22 24 1 0 0 0 0
23 25 1 0 0 0 0
23 46 1 0 0 0 0
23 47 1 0 0 0 0
25 27 2 0 0 0 0
25 28 1 0 0 0 0
26 50 1 0 0 0 0
27 31 1 0 0 0 0
27 51 1 0 0 0 0
28 32 2 0 0 0 0
28 52 1 0 0 0 0
29 53 1 0 0 0 0
29 54 1 0 0 0 0
29 55 1 0 0 0 0
30 56 1 0 0 0 0
30 57 1 0 0 0 0
30 58 1 0 0 0 0
31 33 2 0 0 0 0
31 59 1 0 0 0 0
32 33 1 0 0 0 0
32 60 1 0 0 0 0
34 61 1 0 0 0 0
34 62 1 0 0 0 0
34 63 1 0 0 0 0
M END
$$$$