B0D8ZC
-OEChem-04012115422D
46 47 0 0 0 0 0 0 0999 V2000
7.4128 -2.6012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 -1.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2437 -0.9920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4347 -2.3933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4951 -2.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -2.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 -2.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6760 -2.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 -1.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 -0.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0560 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 -0.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2181 2.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 2.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 0.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2181 1.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 2.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 1.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 0.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9935 -2.8041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8595 -2.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9967 -2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 21 1 0 0 0 0
2 10 1 0 0 0 0
2 43 1 0 0 0 0
3 21 1 0 0 0 0
3 22 1 0 0 0 0
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6 11 1 0 0 0 0
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6 13 1 0 0 0 0
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8 10 2 0 0 0 0
8 17 1 0 0 0 0
9 10 1 0 0 0 0
9 18 2 0 0 0 0
11 23 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
12 26 1 0 0 0 0
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12 28 1 0 0 0 0
13 29 1 0 0 0 0
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16 38 1 0 0 0 0
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16 40 1 0 0 0 0
17 19 2 0 0 0 0
17 41 1 0 0 0 0
18 19 1 0 0 0 0
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22 44 1 0 0 0 0
22 45 1 0 0 0 0
22 46 1 0 0 0 0
M END
$$$$