B0F1SH
-OEChem-04022101403D
40 45 0 1 0 0 0 0 0999 V2000
4.4734 -1.7850 -0.4799 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9829 0.0271 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0132 -1.8526 -0.0756 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9398 0.3689 -0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2231 -1.3947 0.1971 N 0 0 1 0 0 0 0 0 0 0 0 0
-0.3858 -0.1218 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4406 -0.4395 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4829 -1.5547 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4523 1.0316 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9261 0.8521 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8085 0.0066 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8143 -0.6213 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3784 1.3127 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1528 2.2926 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8400 1.8954 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6786 0.4114 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5406 2.4302 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1420 -1.9958 1.5273 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6904 -1.1026 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2229 1.6790 0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7731 1.4899 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0533 -0.8883 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5804 0.3742 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8453 -1.3673 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2084 -1.0479 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2825 -1.5523 -1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9257 -2.5287 -0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4392 3.2022 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4910 2.8978 0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9587 3.4336 -0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8736 -1.9798 1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7990 -1.4729 2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4550 -3.0447 1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 -2.1234 0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9084 2.4901 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2154 2.4810 -0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3695 -1.5541 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3149 -1.9672 0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8295 -1.2781 0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7649 -1.3100 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 24 1 0 0 0 0
2 16 1 0 0 0 0
2 24 1 0 0 0 0
3 22 1 0 0 0 0
3 25 1 0 0 0 0
4 23 1 0 0 0 0
4 25 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 18 1 0 0 0 0
6 9 2 0 0 0 0
6 11 1 0 0 0 0
7 8 1 0 0 0 0
7 10 2 0 0 0 0
7 12 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
10 15 1 0 0 0 0
11 13 1 0 0 0 0
11 19 2 0 0 0 0
12 16 2 0 0 0 0
13 17 1 0 0 0 0
13 21 2 0 0 0 0
14 17 2 0 0 0 0
14 28 1 0 0 0 0
15 20 2 0 0 0 0
15 29 1 0 0 0 0
16 20 1 0 0 0 0
17 30 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
19 22 1 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
21 23 1 0 0 0 0
21 36 1 0 0 0 0
22 23 2 0 0 0 0
24 37 1 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$