D0T7TB
-OEChem-10101305022D
42 42 0 1 0 0 0 0 0999 V2000
5.9331 0.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0351 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7526 -0.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9116 -2.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1289 1.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8231 2.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9011 0.0521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9889 -2.2957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3979 -0.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7671 2.5521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0921 -0.5357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.4011 -1.4867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4011 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7101 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1410 -0.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9011 1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4468 -0.5868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7671 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2879 0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7037 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0800 1.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9951 0.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1196 -2.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7947 -1.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4659 -2.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2765 -0.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0201 0.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6055 -2.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7367 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5268 -1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9076 -0.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9792 0.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3777 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8586 0.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3252 1.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6682 0.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2016 0.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3041 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2302 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2919 -1.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 2 0 0 0 0
2 16 2 0 0 0 0
3 21 1 0 0 0 0
3 41 1 0 0 0 0
4 21 2 0 0 0 0
5 22 1 0 0 0 0
5 42 1 0 0 0 0
6 22 2 0 0 0 0
7 11 1 0 0 0 0
7 14 1 0 0 0 0
7 16 1 0 0 0 0
12 8 1 1 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 15 1 0 0 0 0
17 9 1 6 0 0 0
9 31 1 0 0 0 0
10 18 1 0 0 0 0
10 39 1 0 0 0 0
10 40 1 0 0 0 0
11 13 1 0 0 0 0
11 15 1 1 0 0 0
11 23 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 24 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
14 27 1 0 0 0 0
14 28 1 0 0 0 0
16 18 1 0 0 0 0
17 19 1 0 0 0 0
17 21 1 0 0 0 0
17 32 1 0 0 0 0
18 33 1 0 0 0 0
18 34 1 0 0 0 0
19 20 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
20 22 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
M END
$$$$