B4IPS1
-OEChem-04022105573D
42 45 0 1 0 0 0 0 0999 V2000
2.6225 2.2197 0.1458 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4923 -2.7324 -0.3709 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0302 -2.4111 0.3383 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8037 0.5847 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3227 -0.8322 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2678 0.6334 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4701 -0.5396 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6042 -1.9000 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1256 -1.9045 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0528 -0.4135 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3695 1.5295 -1.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3617 1.0305 1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5606 0.8570 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6278 1.8860 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0159 0.9725 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8436 -0.0616 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2381 0.4105 0.2673 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2408 1.9978 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8564 -1.6026 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0279 1.9107 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3338 -1.4260 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2256 -0.2087 -0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1784 -1.0423 -1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4025 -0.8991 -0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0347 -2.8850 0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7333 -1.7308 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 -2.3539 -0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6285 -2.5470 0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1838 2.5852 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4559 1.4133 -1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9254 1.3167 -2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9552 0.4322 2.1029 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4538 0.9432 1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1148 2.0768 1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2072 2.8057 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5911 0.2593 1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1945 2.9935 0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5962 2.5245 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3271 2.2001 -1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8755 -0.1279 -1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1981 0.2901 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3796 -1.2707 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 20 1 0 0 0 0
2 19 2 0 0 0 0
3 21 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
5 8 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 7 2 0 0 0 0
6 14 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
8 9 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 13 2 0 0 0 0
10 19 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 15 1 0 0 0 0
13 18 1 0 0 0 0
14 18 2 0 0 0 0
14 35 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
16 21 1 0 0 0 0
17 20 1 0 0 0 0
17 22 1 0 0 0 0
17 36 1 0 0 0 0
18 37 1 0 0 0 0
19 21 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
M END
$$$$