B3I2JE
-OEChem-04022105342D
49 53 0 0 0 0 0 0 0999 V2000
6.3984 2.1137 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5106 -4.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3255 -0.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6553 2.7829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1416 1.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 -1.2747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 1.3706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 -2.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 -2.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 -2.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 -3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 -2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 -2.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 -3.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 -1.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0383 0.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 -4.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -3.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 -2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 -1.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -4.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 -3.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0676 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0457 2.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7586 3.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7148 3.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4277 4.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4058 4.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9875 0.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8218 -0.6147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4200 -0.0690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5858 0.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 -0.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -4.6282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 -3.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 -2.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1228 1.4995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 -0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 -2.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8093 -4.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9239 -3.7492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2373 2.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1521 3.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3213 3.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2361 5.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8207 4.8039 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 26 1 0 0 0 0
2 15 2 0 0 0 0
3 16 2 0 0 0 0
6 8 1 0 0 0 0
6 12 1 0 0 0 0
6 16 1 0 0 0 0
7 17 1 0 0 0 0
7 40 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
9 11 1 0 0 0 0
9 15 1 0 0 0 0
10 13 1 0 0 0 0
10 18 2 0 0 0 0
11 14 1 0 0 0 0
11 19 2 0 0 0 0
12 17 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 15 1 0 0 0 0
13 20 2 0 0 0 0
14 16 1 0 0 0 0
14 21 2 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
18 22 1 0 0 0 0
18 36 1 0 0 0 0
19 24 1 0 0 0 0
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20 23 1 0 0 0 0
20 38 1 0 0 0 0
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22 23 2 0 0 0 0
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23 42 1 0 0 0 0
24 25 2 0 0 0 0
24 43 1 0 0 0 0
25 44 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
27 29 1 0 0 0 0
27 45 1 0 0 0 0
28 30 2 0 0 0 0
28 46 1 0 0 0 0
29 31 2 0 0 0 0
29 47 1 0 0 0 0
30 31 1 0 0 0 0
30 48 1 0 0 0 0
31 49 1 0 0 0 0
M END
$$$$