B4DTJ0
-OEChem-04022102492D
40 42 0 0 0 0 0 0 0999 V2000
5.1350 4.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2331 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7331 -3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2947 -3.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7581 -4.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7080 -4.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3157 -3.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8408 -2.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0930 -1.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 -2.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 1.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 2.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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6 8 1 0 0 0 0
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7 8 1 0 0 0 0
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7 25 1 0 0 0 0
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9 10 1 0 0 0 0
10 12 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
11 15 1 0 0 0 0
12 29 1 0 0 0 0
13 14 2 0 0 0 0
13 16 1 0 0 0 0
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15 18 2 0 0 0 0
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16 30 1 0 0 0 0
16 31 1 0 0 0 0
17 32 1 0 0 0 0
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17 34 1 0 0 0 0
18 20 1 0 0 0 0
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19 21 2 0 0 0 0
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20 22 2 0 0 0 0
20 39 1 0 0 0 0
21 22 1 0 0 0 0
21 40 1 0 0 0 0
M END
$$$$