BIT3Z7
-OEChem-04012116282D
44 47 0 1 0 0 0 0 0999 V2000
6.9088 -0.2604 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.5405 -0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5247 -2.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2986 3.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5247 2.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0427 -0.7604 0.0000 N 0 3 2 0 0 0 0 0 0 0 0 0
5.1767 -1.2604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3107 -0.7604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1928 -2.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6606 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0427 0.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4007 -1.2672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3107 0.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3926 -2.3088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1767 0.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2947 -2.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4007 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1928 1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3926 1.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2947 2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5208 -3.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1665 3.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4406 -1.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0468 -0.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1595 -1.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0913 -1.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0334 -3.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7584 -2.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6533 0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2548 0.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8608 -1.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3914 -2.9288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2971 -3.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8674 0.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7332 2.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9008 -3.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5184 -4.4255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1408 -3.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5223 2.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4744 3.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7046 4.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8586 4.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 1 0 0 0
13 2 1 1 0 0 0
2 37 1 0 0 0 0
15 3 1 6 0 0 0
3 22 1 0 0 0 0
4 21 1 0 0 0 0
4 23 1 0 0 0 0
5 20 1 0 0 0 0
5 41 1 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
6 12 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 24 1 1 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
8 25 1 6 0 0 0
9 11 1 0 0 0 0
9 17 2 0 0 0 0
10 11 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 16 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 15 1 0 0 0 0
13 32 1 0 0 0 0
14 16 1 0 0 0 0
14 18 2 0 0 0 0
15 17 1 0 0 0 0
15 33 1 0 0 0 0
16 19 2 0 0 0 0
17 34 1 0 0 0 0
18 20 1 0 0 0 0
18 35 1 0 0 0 0
19 21 1 0 0 0 0
19 36 1 0 0 0 0
20 21 2 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
23 42 1 0 0 0 0
23 43 1 0 0 0 0
23 44 1 0 0 0 0
M CHG 2 1 -1 6 1
M END
$$$$