D0Q5CS
-OEChem-10101305022D
54 58 0 1 0 0 0 0 0999 V2000
10.7314 0.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0774 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0812 1.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4629 -0.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0072 -0.8687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0072 -2.4782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6837 3.3934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1949 -0.6734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0355 2.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3289 -2.1734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1949 -3.6734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7899 -2.3714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2694 0.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3178 0.0818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.2712 1.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3206 1.6999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0133 2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0610 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5908 -1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0610 -2.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1949 -2.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3289 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7308 -0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8648 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5968 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9570 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 -1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7617 -2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3107 -1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6678 0.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1714 -0.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7555 -0.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8231 1.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7084 1.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6443 0.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6471 1.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2108 -1.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4931 3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2899 3.2635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8449 3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1293 -0.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3323 -0.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1983 -1.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9954 -1.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2232 -2.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6580 -3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7319 -3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5397 -2.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0604 0.6437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8966 -1.7679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4752 0.9778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3933 -0.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 16 1 0 0 0 0
13 2 1 1 0 0 0
2 37 1 0 0 0 0
15 3 1 1 0 0 0
3 38 1 0 0 0 0
4 22 1 0 0 0 0
4 25 1 0 0 0 0
14 5 1 6 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
6 19 2 0 0 0 0
6 20 1 0 0 0 0
7 17 1 0 0 0 0
7 40 1 0 0 0 0
7 41 1 0 0 0 0
8 18 2 0 0 0 0
8 22 1 0 0 0 0
9 17 2 0 0 0 0
9 42 1 0 0 0 0
10 21 1 0 0 0 0
10 22 2 0 0 0 0
11 21 1 0 0 0 0
11 48 1 0 0 0 0
11 49 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
12 50 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 33 1 0 0 0 0
14 34 1 0 0 0 0
15 16 1 0 0 0 0
15 35 1 0 0 0 0
16 17 1 6 0 0 0
16 36 1 0 0 0 0
18 20 1 0 0 0 0
19 39 1 0 0 0 0
20 21 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 43 1 0 0 0 0
23 44 1 0 0 0 0
24 26 1 0 0 0 0
24 28 2 0 0 0 0
25 45 1 0 0 0 0
25 46 1 0 0 0 0
26 27 1 0 0 0 0
26 29 2 0 0 0 0
27 30 2 0 0 0 0
28 47 1 0 0 0 0
29 31 1 0 0 0 0
29 51 1 0 0 0 0
30 32 1 0 0 0 0
30 52 1 0 0 0 0
31 32 2 0 0 0 0
31 53 1 0 0 0 0
32 54 1 0 0 0 0
M END
$$$$