B7GH2J
-OEChem-04022106373D
46 48 0 0 0 0 0 0 0999 V2000
0.7117 -0.0493 1.8424 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3512 0.0493 -2.6954 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7542 1.0970 2.2788 O 0 5 0 0 0 0 0 0 0 0 0 0
3.7534 -1.0983 2.2777 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3187 0.0001 -0.3096 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6072 -0.0004 1.6864 N 0 3 0 0 0 0 0 0 0 0 0 0
-1.7143 0.0001 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3946 -1.2080 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3923 1.2080 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6960 -2.5183 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6913 2.5184 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7530 -1.2081 0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7507 1.2078 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7103 -0.0050 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1881 0.0051 -1.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9577 0.0014 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6428 -0.0011 -1.4781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2740 -3.3440 -1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7005 -3.3560 1.2931 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6944 3.3449 1.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2674 3.3552 -1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4310 -0.0003 0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2656 0.0005 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6178 -0.0001 -2.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2708 0.0005 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9496 0.0004 -2.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6396 -2.3724 -0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6351 2.3726 -0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3057 -2.1350 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3018 2.1346 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3096 -3.6485 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6840 -4.2539 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2541 -2.7684 -2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7117 -3.6609 1.5831 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2684 -2.7891 2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1048 -4.2660 1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7050 3.6492 1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0971 4.2550 1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2634 2.7700 2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3024 3.6602 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2484 2.7878 -2.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6755 4.2653 -1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4886 -0.0003 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3709 0.0009 -3.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3193 0.0004 -0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7490 0.0008 -2.7689 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 15 2 0 0 0 0
3 6 1 0 0 0 0
4 6 2 0 0 0 0
5 7 1 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
6 23 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 11 1 0 0 0 0
9 13 2 0 0 0 0
10 18 1 0 0 0 0
10 19 1 0 0 0 0
10 27 1 0 0 0 0
11 20 1 0 0 0 0
11 21 1 0 0 0 0
11 28 1 0 0 0 0
12 22 2 0 0 0 0
12 29 1 0 0 0 0
13 22 1 0 0 0 0
13 30 1 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
16 17 2 0 0 0 0
16 23 1 0 0 0 0
17 24 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
19 34 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
21 42 1 0 0 0 0
22 43 1 0 0 0 0
23 25 2 0 0 0 0
24 26 2 0 0 0 0
24 44 1 0 0 0 0
25 26 1 0 0 0 0
25 45 1 0 0 0 0
26 46 1 0 0 0 0
M CHG 2 3 -1 6 1
M END
$$$$