B4QAO5
-OEChem-04022114073D
43 45 0 1 0 0 0 0 0999 V2000
-3.9067 -2.9313 0.2205 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.5241 -1.4898 0.0739 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4644 2.6345 -0.9067 N 0 0 2 0 0 0 0 0 0 0 0 0
4.0058 -0.0750 -0.3286 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1339 -1.2687 0.2179 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2318 -3.0064 0.1534 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1047 0.3910 1.5441 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8297 3.4236 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4082 1.1988 -0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2355 3.0421 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6478 0.6943 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4836 1.5615 0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0287 -1.3288 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8017 -2.1488 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8980 -0.7673 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1875 3.0832 -1.4597 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4809 -0.8673 -1.4993 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3573 -2.6217 0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8453 -1.7289 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7541 1.2419 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8207 -0.5435 0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4429 1.5065 1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8264 4.4948 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1049 3.2698 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5333 1.0063 0.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2824 0.6432 -1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9871 3.5165 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3857 3.4302 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3793 1.2184 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7461 -1.9191 -2.2137 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3807 -0.4440 -1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0265 -1.5336 0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4728 -3.0149 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2502 4.1327 -1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0675 2.5071 -2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6336 2.9837 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5937 -0.2126 -2.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1602 -1.7197 -1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2447 -3.1999 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1234 -3.2618 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1298 1.8533 -0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1712 -1.5659 0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4955 2.4434 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 6 1 0 0 0 0
2 18 1 0 0 0 0
2 19 1 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
3 16 1 0 0 0 0
4 17 1 0 0 0 0
4 20 1 0 0 0 0
4 21 1 0 0 0 0
5 15 2 0 0 0 0
6 19 2 0 0 0 0
7 21 2 0 0 0 0
7 22 1 0 0 0 0
8 10 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 11 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 12 1 0 0 0 0
10 27 1 0 0 0 0
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11 12 2 0 0 0 0
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17 38 1 0 0 0 0
18 39 1 0 0 0 0
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20 22 2 0 0 0 0
20 41 1 0 0 0 0
21 42 1 0 0 0 0
22 43 1 0 0 0 0
M END
$$$$