B71DKV
-OEChem-04012114232D
55 59 0 1 0 0 0 0 0999 V2000
2.2390 -2.6509 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0017 1.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5891 -1.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1891 -1.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5531 -1.3686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3579 -2.7624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3861 -2.9716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8190 -3.3083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3270 -1.2737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4609 -1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1930 -1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3270 -0.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0590 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8853 -2.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1930 -2.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9250 -1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2425 -0.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2640 -0.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9250 -2.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0590 -3.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9068 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5961 -0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8190 -1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9533 0.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7250 -1.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7250 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5397 1.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9505 2.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4571 -1.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2579 3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3212 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0532 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8639 -0.9637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9470 -0.2737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3270 0.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7070 -0.2737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0590 -0.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6560 -3.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6566 0.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0590 -3.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9895 -0.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8118 -0.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2608 -3.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1597 1.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0604 -2.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8574 -2.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8479 3.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4485 3.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6679 3.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7179 -0.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9208 -0.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3653 -1.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5890 -0.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7411 -0.7004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 9 1 0 0 0 0
2 25 1 0 0 0 0
3 26 1 0 0 0 0
3 30 1 0 0 0 0
4 32 1 0 0 0 0
4 33 1 0 0 0 0
5 11 1 0 0 0 0
5 15 1 0 0 0 0
5 18 1 0 0 0 0
6 7 1 0 0 0 0
6 11 2 0 0 0 0
7 15 2 0 0 0 0
8 20 2 0 0 0 0
8 27 1 0 0 0 0
9 29 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 1 0 0 0
10 34 1 0 0 0 0
12 14 2 0 0 0 0
12 16 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 17 1 0 0 0 0
14 38 1 0 0 0 0
15 22 1 0 0 0 0
16 21 2 0 0 0 0
16 39 1 0 0 0 0
17 20 1 0 0 0 0
17 24 2 0 0 0 0
18 19 2 0 0 0 0
18 40 1 0 0 0 0
19 23 1 0 0 0 0
19 25 1 0 0 0 0
20 21 1 0 0 0 0
21 41 1 0 0 0 0
22 23 2 0 0 0 0
23 42 1 0 0 0 0
24 26 1 0 0 0 0
24 43 1 0 0 0 0
25 28 2 0 0 0 0
26 27 2 0 0 0 0
27 44 1 0 0 0 0
28 29 1 0 0 0 0
28 45 1 0 0 0 0
29 31 1 0 0 0 0
30 32 1 0 0 0 0
30 46 1 0 0 0 0
30 47 1 0 0 0 0
31 48 1 0 0 0 0
31 49 1 0 0 0 0
31 50 1 0 0 0 0
32 51 1 0 0 0 0
32 52 1 0 0 0 0
33 53 1 0 0 0 0
33 54 1 0 0 0 0
33 55 1 0 0 0 0
M END
$$$$