B2US6K
-OEChem-04012117102D
37 39 0 0 0 0 0 0 0999 V2000
5.1854 -2.7673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.6938 0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6822 -2.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3319 -0.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5357 -0.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4601 1.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4075 1.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1738 0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6938 -1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1738 -1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5998 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2678 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5998 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2678 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4639 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4037 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7218 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3232 1.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0119 1.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4104 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 -2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4198 2.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 3.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1798 2.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1356 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8676 0.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
2 11 1 0 0 0 0
2 20 1 0 0 0 0
3 17 2 0 0 0 0
4 24 1 0 0 0 0
4 36 1 0 0 0 0
5 25 1 0 0 0 0
5 37 1 0 0 0 0
6 24 2 0 0 0 0
7 25 2 0 0 0 0
8 12 1 0 0 0 0
8 21 2 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
9 12 1 0 0 0 0
10 15 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 13 1 0 0 0 0
12 14 2 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 16 1 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
15 28 1 0 0 0 0
15 29 1 0 0 0 0
16 30 1 0 0 0 0
17 22 1 0 0 0 0
18 23 2 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
20 22 2 0 0 0 0
20 24 1 0 0 0 0
21 23 1 0 0 0 0
21 25 1 0 0 0 0
22 34 1 0 0 0 0
23 35 1 0 0 0 0
M END
$$$$