BJU9D7
-OEChem-04022105342D
70 74 0 0 0 0 0 0 0999 V2000
7.1698 4.9226 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.3255 -3.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5106 -7.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1208 5.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2187 4.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 -4.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4788 3.9716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 -3.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0383 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 -5.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3984 -1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 -6.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0894 -0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 -5.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7586 0.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 -6.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 -4.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 -6.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 -5.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4495 1.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 -6.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1187 2.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 -4.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 -7.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8096 3.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -6.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 -5.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 -4.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -7.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 -6.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8607 5.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5299 6.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8826 6.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2208 7.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5736 7.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2427 7.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9875 -3.0598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8218 -3.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4200 -3.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5858 -2.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3476 -1.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1819 -2.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7801 -1.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9459 -0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7077 0.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5420 -0.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1403 0.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3060 0.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 2.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9021 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5004 1.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6661 2.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 -3.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -7.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4279 3.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2622 2.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 -7.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 -5.3937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 -4.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 -5.7908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8093 -8.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9239 -6.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0852 3.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1363 6.4880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4677 5.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6357 8.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9671 7.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0511 8.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 7 1 0 0 0 0
1 33 1 0 0 0 0
2 18 2 0 0 0 0
3 22 2 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 18 1 0 0 0 0
7 26 1 0 0 0 0
7 65 1 0 0 0 0
8 9 1 0 0 0 0
8 39 1 0 0 0 0
8 40 1 0 0 0 0
9 11 1 0 0 0 0
9 41 1 0 0 0 0
9 42 1 0 0 0 0
10 13 2 0 0 0 0
10 15 1 0 0 0 0
11 12 1 0 0 0 0
11 43 1 0 0 0 0
11 44 1 0 0 0 0
12 14 1 0 0 0 0
12 45 1 0 0 0 0
12 46 1 0 0 0 0
13 17 1 0 0 0 0
13 22 1 0 0 0 0
14 16 1 0 0 0 0
14 47 1 0 0 0 0
14 48 1 0 0 0 0
15 19 1 0 0 0 0
15 24 2 0 0 0 0
16 21 1 0 0 0 0
16 49 1 0 0 0 0
16 50 1 0 0 0 0
17 20 1 0 0 0 0
17 25 2 0 0 0 0
18 20 1 0 0 0 0
19 22 1 0 0 0 0
19 27 2 0 0 0 0
20 28 2 0 0 0 0
21 23 1 0 0 0 0
21 51 1 0 0 0 0
21 52 1 0 0 0 0
23 26 1 0 0 0 0
23 53 1 0 0 0 0
23 54 1 0 0 0 0
24 29 1 0 0 0 0
24 55 1 0 0 0 0
25 31 1 0 0 0 0
25 56 1 0 0 0 0
26 57 1 0 0 0 0
26 58 1 0 0 0 0
27 30 1 0 0 0 0
27 59 1 0 0 0 0
28 32 1 0 0 0 0
28 60 1 0 0 0 0
29 30 2 0 0 0 0
29 61 1 0 0 0 0
30 62 1 0 0 0 0
31 32 2 0 0 0 0
31 63 1 0 0 0 0
32 64 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
34 36 1 0 0 0 0
34 66 1 0 0 0 0
35 37 2 0 0 0 0
35 67 1 0 0 0 0
36 38 2 0 0 0 0
36 68 1 0 0 0 0
37 38 1 0 0 0 0
37 69 1 0 0 0 0
38 70 1 0 0 0 0
M END
$$$$