B73PVX
-OEChem-04012114502D
52 54 0 1 0 0 0 0 0999 V2000
6.9334 3.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9389 3.2748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3566 2.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7688 1.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3347 2.1522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 0.7432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 0.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 -0.9123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9225 2.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9225 2.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6135 3.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2315 3.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4225 4.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3402 2.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7524 1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7579 1.5523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3511 2.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1756 0.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -0.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2218 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2218 -4.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 -4.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -4.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2040 2.4088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8577 2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5289 2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3035 4.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0471 3.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7979 3.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5415 4.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8374 4.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0076 4.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5869 1.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5815 0.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3096 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0100 0.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4223 0.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4865 -1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5016 1.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 1.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 0.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6868 3.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6848 -2.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4908 -2.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6848 -4.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4908 -4.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -5.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 17 1 0 0 0 0
2 47 1 0 0 0 0
3 17 2 0 0 0 0
4 18 2 0 0 0 0
5 9 1 0 0 0 0
5 14 1 0 0 0 0
5 38 1 0 0 0 0
16 6 1 1 0 0 0
6 18 1 0 0 0 0
6 42 1 0 0 0 0
7 8 1 0 0 0 0
7 19 1 0 0 0 0
7 23 1 0 0 0 0
8 21 2 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 29 1 0 0 0 0
10 12 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 13 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 13 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
16 17 1 0 0 0 0
16 41 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 43 1 0 0 0 0
21 22 1 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
23 44 1 0 0 0 0
23 45 1 0 0 0 0
23 46 1 0 0 0 0
24 26 1 0 0 0 0
24 48 1 0 0 0 0
25 27 2 0 0 0 0
25 49 1 0 0 0 0
26 28 2 0 0 0 0
26 50 1 0 0 0 0
27 28 1 0 0 0 0
27 51 1 0 0 0 0
28 52 1 0 0 0 0
M END
$$$$