B6NKI0
-OEChem-04022101042D
52 55 0 0 0 0 0 0 0999 V2000
3.3660 0.7601 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1261 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 2.4921 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.6064 -4.6261 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3453 -3.9862 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.2463 -3.3649 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0531 0.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9851 -2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 1.8214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6995 0.6646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5670 -2.8056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 3.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 2.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0102 -0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9887 -0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3423 -1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2993 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6530 -1.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6315 -2.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2778 -1.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9457 -0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5885 -2.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9242 -1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2958 -3.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2348 -2.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9477 3.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1593 3.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4548 2.2114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4548 3.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1136 1.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4027 -0.0307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7356 -0.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8241 -2.7763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 4.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 4.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7531 -0.3152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1744 -3.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3382 -0.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8415 -2.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 22 1 0 0 0 0
3 22 1 0 0 0 0
4 34 1 0 0 0 0
5 34 1 0 0 0 0
6 34 1 0 0 0 0
7 20 1 0 0 0 0
7 29 1 0 0 0 0
8 21 2 0 0 0 0
9 27 1 0 0 0 0
9 34 1 0 0 0 0
10 14 1 0 0 0 0
10 16 1 0 0 0 0
10 21 1 0 0 0 0
11 21 1 0 0 0 0
11 23 1 0 0 0 0
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12 32 1 0 0 0 0
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13 15 1 0 0 0 0
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14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 16 1 0 0 0 0
15 18 2 0 0 0 0
16 17 2 0 0 0 0
17 19 1 0 0 0 0
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18 20 1 0 0 0 0
18 41 1 0 0 0 0
19 20 2 0 0 0 0
19 22 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
24 26 2 0 0 0 0
24 43 1 0 0 0 0
25 27 1 0 0 0 0
25 44 1 0 0 0 0
26 28 1 0 0 0 0
26 30 1 0 0 0 0
27 28 2 0 0 0 0
28 45 1 0 0 0 0
29 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
30 31 1 0 0 0 0
30 32 2 0 0 0 0
31 33 2 0 0 0 0
31 49 1 0 0 0 0
32 50 1 0 0 0 0
33 35 1 0 0 0 0
33 51 1 0 0 0 0
35 52 1 0 0 0 0
M END
$$$$