B3LT5J
-OEChem-04022116363D
41 43 0 0 0 0 0 0 0999 V2000
1.8806 1.8664 -0.1332 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6018 1.2587 0.1083 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8094 -0.3556 -0.2810 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1315 -2.6305 0.0206 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4735 -1.5503 0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2381 -0.1431 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6500 -2.4754 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8105 -1.5504 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0075 0.7973 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6333 0.7333 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5197 1.7156 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1220 0.8261 -0.9352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2236 2.4517 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5069 0.6726 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6086 2.2982 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2503 1.4085 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1085 -0.0298 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5324 -1.0243 0.8618 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1957 -0.3342 -0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0763 -2.2970 0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6653 -1.6378 -0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5324 -2.0097 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4151 -1.3395 1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4289 0.2761 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6846 0.5186 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8802 -3.1011 1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4348 -3.1393 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1617 -1.7678 -1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6560 -1.6814 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9225 0.9090 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4880 1.7212 -0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7265 0.7440 -1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1423 -0.1967 -0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4151 0.2592 -1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 3.1457 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9838 -0.0055 -1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1823 2.8739 1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6969 -0.8320 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6642 0.4215 -1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6667 -3.1070 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5108 -1.9266 -1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 16 1 0 0 0 0
2 17 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
4 20 2 0 0 0 0
4 21 1 0 0 0 0
5 7 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
6 8 1 0 0 0 0
6 24 1 0 0 0 0
6 25 1 0 0 0 0
7 8 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 10 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 14 1 0 0 0 0
12 34 1 0 0 0 0
13 15 2 0 0 0 0
13 35 1 0 0 0 0
14 16 2 0 0 0 0
14 36 1 0 0 0 0
15 16 1 0 0 0 0
15 37 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 38 1 0 0 0 0
19 21 2 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
M END
$$$$