BU7F9X
-OEChem-04022104243D
46 48 0 0 0 0 0 0 0999 V2000
-0.2075 -0.0451 2.1355 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3399 0.0448 -2.4931 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3192 -0.0008 -0.1804 O 0 5 0 0 0 0 0 0 0 0 0 0
-5.4696 0.0014 1.8437 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5754 -0.0009 -0.1186 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.3343 0.0003 0.5966 N 0 3 0 0 0 0 0 0 0 0 0 0
1.9989 0.0002 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7010 -1.2072 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6981 1.2089 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9889 -2.5182 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9828 2.5186 0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0862 -1.2061 0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0832 1.2098 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3423 -0.0044 0.9259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0734 0.0023 -1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6669 0.0005 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5048 -0.0037 -1.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1228 -3.3577 1.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4200 -3.3505 -1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4124 3.3594 -1.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1143 3.3506 1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7772 0.0023 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9167 0.0004 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5832 -0.0032 -1.9223 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0244 0.0001 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8590 -0.0016 -1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9123 -2.3670 -0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9066 2.3657 -0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6491 -2.1333 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6438 2.1378 0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1576 -3.6675 1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5118 -4.2644 1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7844 -2.7891 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2952 -2.7767 -2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8109 -4.2572 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4687 -3.6598 -1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4602 3.6709 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8010 4.2651 -1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2891 2.7910 -2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7768 2.7758 2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5012 4.2563 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1483 3.6615 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8557 0.0031 0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0070 0.0009 1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4556 -0.0033 -2.9987 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7124 -0.0015 -2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 15 2 0 0 0 0
3 6 1 0 0 0 0
4 6 2 0 0 0 0
5 7 1 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
6 25 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 11 1 0 0 0 0
9 13 2 0 0 0 0
10 18 1 0 0 0 0
10 19 1 0 0 0 0
10 27 1 0 0 0 0
11 20 1 0 0 0 0
11 21 1 0 0 0 0
11 28 1 0 0 0 0
12 22 2 0 0 0 0
12 29 1 0 0 0 0
13 22 1 0 0 0 0
13 30 1 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
16 17 2 0 0 0 0
16 23 1 0 0 0 0
17 24 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 34 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
21 42 1 0 0 0 0
22 43 1 0 0 0 0
23 25 2 0 0 0 0
23 44 1 0 0 0 0
24 26 2 0 0 0 0
24 45 1 0 0 0 0
25 26 1 0 0 0 0
26 46 1 0 0 0 0
M CHG 2 3 -1 6 1
M END
$$$$