D03BUD
-OEChem-10111523292D
52 55 0 1 0 0 0 0 0999 V2000
1.4805 2.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8318 -3.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5684 1.1722 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.1696 2.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6918 0.6540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4330 1.6199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9872 -0.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2100 0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0251 1.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0360 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2270 -0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0237 2.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9507 -0.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1696 3.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0357 3.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0774 0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1864 1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1406 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1022 -1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2436 -1.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9926 -0.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9401 -2.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8917 -1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2130 2.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3689 -0.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5449 -0.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8723 -0.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6576 0.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1383 1.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6557 0.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8843 2.6150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5944 2.2532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5126 -0.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3063 -0.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5496 3.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1696 4.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7896 3.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7257 3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5726 3.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3457 2.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6928 0.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8133 0.9188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7636 1.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8962 0.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5329 -1.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6820 -1.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8052 -1.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8052 -0.5807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5560 -0.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8613 2.7648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3947 -2.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3319 -3.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 50 1 0 0 0 0
2 22 1 0 0 0 0
2 52 1 0 0 0 0
3 6 1 0 0 0 0
3 8 1 0 0 0 0
3 12 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
5 7 1 0 0 0 0
5 11 1 0 0 0 0
5 13 1 1 0 0 0
6 10 1 0 0 0 0
6 24 1 6 0 0 0
7 8 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 12 1 0 0 0 0
9 16 1 0 0 0 0
9 17 1 0 0 0 0
10 18 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 18 2 0 0 0 0
11 19 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 20 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 38 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
16 44 1 0 0 0 0
17 42 1 0 0 0 0
17 43 1 0 0 0 0
18 21 1 0 0 0 0
19 22 2 0 0 0 0
19 45 1 0 0 0 0
20 46 1 0 0 0 0
20 47 1 0 0 0 0
20 48 1 0 0 0 0
21 23 2 0 0 0 0
21 49 1 0 0 0 0
22 23 1 0 0 0 0
23 51 1 0 0 0 0
M END
$$$$