BXJ50M
-OEChem-04042102463D
26 28 0 0 0 0 0 0 0999 V2000
5.4929 0.0620 0.0114 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8502 1.0475 0.2216 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8466 -1.1267 -0.2394 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1712 0.6872 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0986 -0.0695 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1424 -0.6745 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3439 -0.0353 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3528 1.4130 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3550 -1.3692 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0657 -1.1670 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 1.1293 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5502 0.7056 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5534 -0.6608 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4601 -1.1342 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4099 1.1622 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1324 0.0303 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5078 1.9760 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3476 2.4734 0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3682 -2.4309 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5616 -2.0840 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4835 2.0243 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4959 1.2301 0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5003 -1.1833 -0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0113 -2.0223 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9282 2.0712 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8270 -0.8054 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 26 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
2 17 1 0 0 0 0
3 5 2 0 0 0 0
3 6 1 0 0 0 0
4 6 1 0 0 0 0
4 8 2 0 0 0 0
5 7 1 0 0 0 0
6 9 2 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 12 1 0 0 0 0
8 18 1 0 0 0 0
9 13 1 0 0 0 0
9 19 1 0 0 0 0
10 14 1 0 0 0 0
10 20 1 0 0 0 0
11 15 2 0 0 0 0
11 21 1 0 0 0 0
12 13 2 0 0 0 0
12 22 1 0 0 0 0
13 23 1 0 0 0 0
14 16 2 0 0 0 0
14 24 1 0 0 0 0
15 16 1 0 0 0 0
15 25 1 0 0 0 0
M END
$$$$