B4V1GJ
-OEChem-04012115033D
50 52 0 1 0 0 0 0 0999 V2000
2.5914 1.1202 1.0298 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.6413 -1.6757 1.7240 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5286 -1.1755 -0.3977 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8271 2.5495 0.9563 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0260 0.3598 2.1860 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2536 3.3836 -1.1490 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6833 1.9150 -0.8248 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1754 0.3764 -0.3857 N 0 0 1 0 0 0 0 0 0 0 0 0
-3.2430 0.3868 0.2888 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1410 -1.1190 -0.4567 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0913 -1.4131 -1.9548 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7016 0.9189 -1.6952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2128 -0.2929 -2.4756 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3667 -1.7162 0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8550 0.8552 0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0821 1.8058 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2654 1.5398 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8616 0.3882 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2688 -0.3150 1.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1029 -0.5584 1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1509 -0.6627 0.6826 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3264 2.3196 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6151 1.5262 -0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1512 -1.8302 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7165 -1.6972 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1334 -2.9337 0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1562 -4.0553 -0.9257 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2345 -1.5166 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6751 -2.4023 -2.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0793 -1.3533 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5743 1.3586 -2.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9462 1.6985 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2978 -0.1548 -3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1620 -0.4967 -2.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3610 -2.8053 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3831 -1.5028 1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 2.7229 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8700 -1.0522 1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9117 -0.9923 1.6994 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1604 -0.2351 0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1428 -2.2541 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4072 -1.4594 -1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5741 -1.2497 -0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7613 -2.7830 0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7675 -1.4394 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1421 -2.5160 0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8537 -3.3418 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1673 -4.5138 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4652 -3.6825 -1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8620 -4.8340 -0.6205 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 8 1 0 0 0 0
1 15 1 0 0 0 0
2 20 1 0 0 0 0
3 14 1 0 0 0 0
3 25 1 0 0 0 0
6 22 2 0 0 0 0
7 23 2 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 18 1 0 0 0 0
9 21 1 0 0 0 0
9 23 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
10 28 1 0 0 0 0
11 13 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 16 2 0 0 0 0
15 19 1 0 0 0 0
16 17 1 0 0 0 0
16 37 1 0 0 0 0
17 18 2 0 0 0 0
17 22 1 0 0 0 0
18 20 1 0 0 0 0
19 20 2 0 0 0 0
19 38 1 0 0 0 0
21 24 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
22 23 1 0 0 0 0
24 26 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
25 45 1 0 0 0 0
26 27 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
M END
$$$$