B2ETU0
-OEChem-04042103113D
51 55 0 0 0 0 0 0 0999 V2000
0.7343 2.6273 0.7478 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.8460 -0.8797 0.3048 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3471 3.4057 0.7511 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7314 -4.1902 0.2707 O 0 5 0 0 0 0 0 0 0 0 0 0
1.3017 -5.4390 1.3733 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2326 1.9963 -0.7452 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0853 0.7508 -1.3632 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6746 -0.2579 1.2463 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9927 2.2864 -1.7786 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2909 1.8740 0.8852 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2246 1.9732 -1.2316 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5556 -4.5012 0.5792 N 0 3 0 0 0 0 0 0 0 0 0 0
-2.9051 -0.2120 -1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1067 1.2159 0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 0.0214 -0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7734 -1.5592 -1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2251 2.3092 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6359 -2.3315 -1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2084 0.9960 1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2988 3.0440 -1.1126 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8940 -3.3781 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3202 -2.0036 -1.4302 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1251 2.6430 -0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8602 1.9407 2.2736 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8367 -4.0970 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7372 -2.7224 -0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4789 -3.7692 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2259 2.1097 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6507 1.4416 0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5244 1.2922 1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0900 1.1740 -0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8372 0.8751 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4027 0.7568 -0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 0.6075 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7117 -2.1204 -1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5897 -1.4182 -2.7749 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5197 3.9873 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4332 3.2292 -2.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9143 -3.6421 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1034 -1.1944 -2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2388 2.8103 1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7047 1.4828 2.7993 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1490 2.2938 3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0754 -4.9056 1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7490 -2.4391 -1.1513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1297 2.0261 1.8796 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1954 1.4973 2.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4513 1.2744 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5175 0.7588 2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7455 0.5480 -1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2986 0.2827 0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
1 28 1 0 0 0 0
2 8 1 0 0 0 0
2 15 1 0 0 0 0
3 17 2 0 0 0 0
4 12 1 0 0 0 0
5 12 2 0 0 0 0
6 7 1 0 0 0 0
6 17 1 0 0 0 0
6 20 1 0 0 0 0
7 13 2 0 0 0 0
8 19 2 0 0 0 0
9 11 1 0 0 0 0
9 23 2 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
10 46 1 0 0 0 0
11 28 2 0 0 0 0
12 27 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 0 0 0 0
14 15 2 0 0 0 0
14 17 1 0 0 0 0
14 19 1 0 0 0 0
16 18 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 24 1 0 0 0 0
20 23 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
21 25 1 0 0 0 0
21 39 1 0 0 0 0
22 26 2 0 0 0 0
22 40 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
24 43 1 0 0 0 0
25 27 2 0 0 0 0
25 44 1 0 0 0 0
26 27 1 0 0 0 0
26 45 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
30 32 1 0 0 0 0
30 47 1 0 0 0 0
31 33 2 0 0 0 0
31 48 1 0 0 0 0
32 34 2 0 0 0 0
32 49 1 0 0 0 0
33 34 1 0 0 0 0
33 50 1 0 0 0 0
34 51 1 0 0 0 0
M CHG 2 4 -1 12 1
M END
$$$$