D0P3PT
-OEChem-09301911172D
60 64 0 1 0 0 0 0 0999 V2000
3.6333 -2.9617 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3644 0.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8202 2.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0400 -2.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5468 -3.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7197 -2.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8076 1.3768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6737 2.8768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6199 2.5721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8076 4.3768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2265 -3.8752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8590 -0.3256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9416 0.8768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3590 0.5404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8371 -0.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0281 1.2836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4522 -1.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8076 2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9416 2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6737 3.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9416 3.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6199 4.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2035 3.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2035 3.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7035 2.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7035 4.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7035 2.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7035 4.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2035 3.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2035 1.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7035 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2035 1.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2035 -0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7035 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2035 -0.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2491 -0.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4616 0.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1368 1.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9019 -0.7343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4571 -0.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5099 1.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9382 -0.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0215 -1.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3446 1.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2305 2.4533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4047 2.5668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4047 4.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8125 4.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5910 -4.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6099 -3.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3935 1.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3935 4.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0135 4.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8235 3.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0835 0.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5135 2.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8935 -0.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3235 0.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5135 -0.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 11 1 0 0 0 0
14 2 1 1 0 0 0
2 45 1 0 0 0 0
16 3 1 1 0 0 0
3 46 1 0 0 0 0
4 17 1 0 0 0 0
13 7 1 6 0 0 0
7 18 1 0 0 0 0
7 44 1 0 0 0 0
8 9 1 0 0 0 0
8 18 1 0 0 0 0
8 20 1 0 0 0 0
9 23 2 0 0 0 0
10 20 1 0 0 0 0
10 21 2 0 0 0 0
11 50 1 0 0 0 0
11 51 1 0 0 0 0
12 14 1 0 0 0 0
12 15 1 0 0 0 0
12 17 1 6 0 0 0
12 36 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 0 0 0 0
13 37 1 0 0 0 0
14 16 1 0 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 41 1 0 0 0 0
17 42 1 0 0 0 0
17 43 1 0 0 0 0
18 19 2 0 0 0 0
19 21 1 0 0 0 0
19 47 1 0 0 0 0
20 22 2 0 0 0 0
21 48 1 0 0 0 0
22 23 1 0 0 0 0
22 49 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 2 0 0 0 0
25 27 2 0 0 0 0
25 52 1 0 0 0 0
26 28 1 0 0 0 0
26 53 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
28 29 2 0 0 0 0
28 54 1 0 0 0 0
29 55 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
31 33 1 0 0 0 0
31 56 1 0 0 0 0
32 34 2 0 0 0 0
32 57 1 0 0 0 0
33 35 2 0 0 0 0
33 58 1 0 0 0 0
34 35 1 0 0 0 0
34 59 1 0 0 0 0
35 60 1 0 0 0 0
M END
$$$$