BJ4D1F
-OEChem-04012113383D
37 39 0 0 0 0 0 0 0999 V2000
4.8046 0.5541 0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.1467 4.3160 0.0004 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.8264 -3.0175 -0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4353 0.1838 1.2591 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4496 0.2110 -1.2599 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1624 -3.3994 -0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0079 -1.1314 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7477 -1.6622 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5862 -1.1298 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1830 -0.0932 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3012 0.2740 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8495 -2.2536 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2401 -0.8699 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2394 -0.8681 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5357 -0.3527 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5349 -0.3511 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4447 0.9564 -1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4436 0.9569 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3223 -2.2898 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5759 2.3179 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7303 2.3218 -1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7294 2.3222 1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8726 3.0046 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7489 -1.0647 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7476 -1.0617 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0182 -0.1528 2.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0179 -0.1504 -2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3369 0.4390 -2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3350 0.4401 2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7205 -1.7796 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7173 -1.7908 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7059 -3.3155 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5619 2.7875 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0301 2.6064 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0238 2.6036 0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8418 2.8534 -2.1476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8402 2.8544 2.1489 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 10 1 0 0 0 0
1 20 1 0 0 0 0
2 23 1 0 0 0 0
3 6 1 0 0 0 0
3 8 1 0 0 0 0
6 12 2 0 0 0 0
7 8 2 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
8 9 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 15 2 0 0 0 0
10 16 1 0 0 0 0
11 17 2 0 0 0 0
11 18 1 0 0 0 0
12 19 1 0 0 0 0
13 15 1 0 0 0 0
13 24 1 0 0 0 0
14 16 2 0 0 0 0
14 25 1 0 0 0 0
15 26 1 0 0 0 0
16 27 1 0 0 0 0
17 21 1 0 0 0 0
17 28 1 0 0 0 0
18 22 2 0 0 0 0
18 29 1 0 0 0 0
19 30 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
21 23 2 0 0 0 0
21 36 1 0 0 0 0
22 23 1 0 0 0 0
22 37 1 0 0 0 0
M END
$$$$