D0B0QW
-OEChem-10101305022D
63 66 0 1 0 0 0 0 0999 V2000
13.0628 1.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.4088 0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.4125 2.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0150 3.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -3.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3385 -0.2737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3385 -1.8832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -0.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.5784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -3.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.6008 0.9842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.6025 1.9842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.6492 0.6768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.6520 2.2949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.3446 3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9221 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5027 0.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1544 1.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0868 0.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0398 2.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9638 3.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7967 2.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9756 0.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9785 2.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5421 -1.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8245 4.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -3.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 1.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 1.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1306 2.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3335 2.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 2.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 2.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 1.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 1.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 0.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 2.9585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0403 -4.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -5.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2803 -4.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 14 1 0 0 0 0
11 2 1 1 0 0 0
2 41 1 0 0 0 0
12 3 1 1 0 0 0
3 42 1 0 0 0 0
4 15 1 0 0 0 0
4 44 1 0 0 0 0
5 10 1 0 0 0 0
5 34 1 0 0 0 0
13 6 1 6 0 0 0
6 16 1 0 0 0 0
6 17 1 0 0 0 0
7 17 2 0 0 0 0
7 18 1 0 0 0 0
8 16 1 0 0 0 0
8 20 2 0 0 0 0
9 19 2 0 0 0 0
9 20 1 0 0 0 0
10 19 1 0 0 0 0
10 45 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 35 1 0 0 0 0
12 14 1 0 0 0 0
12 36 1 0 0 0 0
13 37 1 0 0 0 0
14 15 1 6 0 0 0
14 38 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
16 18 2 0 0 0 0
17 43 1 0 0 0 0
18 19 1 0 0 0 0
20 26 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
22 24 1 0 0 0 0
22 48 1 0 0 0 0
22 49 1 0 0 0 0
23 25 1 0 0 0 0
23 50 1 0 0 0 0
23 51 1 0 0 0 0
24 29 1 0 0 0 0
24 52 1 0 0 0 0
24 53 1 0 0 0 0
25 27 2 0 0 0 0
25 28 1 0 0 0 0
26 33 3 0 0 0 0
27 31 1 0 0 0 0
27 54 1 0 0 0 0
28 32 2 0 0 0 0
28 55 1 0 0 0 0
29 56 1 0 0 0 0
29 57 1 0 0 0 0
29 58 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
31 59 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
$$$$