BM4D3U
-OEChem-04022115233D
57 60 0 0 0 0 0 0 0999 V2000
1.4459 -1.6110 -2.3488 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0103 -3.2844 1.4785 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3973 1.5985 -0.9858 O 0 5 0 0 0 0 0 0 0 0 0 0
-7.5396 -0.2842 0.1342 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8567 0.8306 0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7440 0.8301 1.8413 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3015 -2.7135 -1.2894 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8688 0.6710 -0.3263 N 0 3 0 0 0 0 0 0 0 0 0 0
-0.3398 0.7956 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4455 0.7657 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3044 0.7953 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5573 0.8515 1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7696 -0.6367 -2.4072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1534 0.8458 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2038 0.8808 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7162 0.7640 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6574 0.8911 2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9151 0.9058 2.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -1.6844 -2.0294 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5744 0.9048 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3261 1.7856 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4825 -0.2878 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7021 1.7552 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8585 -0.3182 0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1908 2.1232 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2540 -0.2912 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4715 -3.8338 -0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4683 0.7033 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0478 -3.5619 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4868 2.1458 -0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5502 -0.2687 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1663 0.9497 -0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4808 -3.0173 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2281 1.4545 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4660 1.1327 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8056 -0.6004 -3.5028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7703 -0.9386 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2862 0.8297 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4700 0.9086 3.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7571 0.9359 2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7516 2.6238 -0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0218 -1.0934 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2885 -2.6873 -1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1437 2.5695 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4235 -1.1538 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2142 -4.6867 -0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2727 -4.0605 -1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6743 3.0640 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7869 -1.2489 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6078 -4.4389 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7275 -2.7021 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9668 3.0944 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0794 -1.2000 -0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1754 0.9672 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9821 -3.9010 3.1911 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1696 -2.1681 2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3681 -2.7706 3.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 2 0 0 0 0
2 29 1 0 0 0 0
2 33 1 0 0 0 0
3 8 1 0 0 0 0
4 8 2 0 0 0 0
5 9 1 0 0 0 0
5 12 1 0 0 0 0
5 14 1 0 0 0 0
6 11 1 0 0 0 0
6 12 2 0 0 0 0
7 19 1 0 0 0 0
7 27 1 0 0 0 0
7 43 1 0 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
10 13 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
11 16 1 0 0 0 0
12 17 1 0 0 0 0
13 19 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 15 2 0 0 0 0
14 38 1 0 0 0 0
15 18 1 0 0 0 0
15 20 1 0 0 0 0
16 21 2 0 0 0 0
16 22 1 0 0 0 0
17 18 2 0 0 0 0
17 39 1 0 0 0 0
18 40 1 0 0 0 0
20 25 2 0 0 0 0
20 26 1 0 0 0 0
21 23 1 0 0 0 0
21 41 1 0 0 0 0
22 24 2 0 0 0 0
22 42 1 0 0 0 0
23 28 2 0 0 0 0
23 44 1 0 0 0 0
24 28 1 0 0 0 0
24 45 1 0 0 0 0
25 30 1 0 0 0 0
25 48 1 0 0 0 0
26 31 2 0 0 0 0
26 49 1 0 0 0 0
27 29 1 0 0 0 0
27 46 1 0 0 0 0
27 47 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
30 32 2 0 0 0 0
30 52 1 0 0 0 0
31 32 1 0 0 0 0
31 53 1 0 0 0 0
32 54 1 0 0 0 0
33 55 1 0 0 0 0
33 56 1 0 0 0 0
33 57 1 0 0 0 0
M CHG 2 3 -1 8 1
M END
$$$$