B9YD2X
-OEChem-04012113063D
42 44 0 0 0 0 0 0 0999 V2000
5.1644 -0.8928 -0.1725 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.9361 -3.4669 0.0663 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.8288 -1.9488 1.3408 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.9173 -1.7371 -0.8269 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.1391 1.9578 -2.0013 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5352 -1.5983 -1.3909 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6755 0.4496 0.0693 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7444 -0.7818 0.1445 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8201 -0.0123 0.3221 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5466 0.3181 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6481 -0.8079 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0430 1.6686 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5565 -1.8792 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4213 -0.8598 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8325 -1.3791 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2764 -1.8077 -0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3880 0.1663 0.7271 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6690 -1.8339 -0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7807 0.1404 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8549 2.4457 -0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7434 2.1936 1.6403 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1035 -2.1193 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6617 -1.8934 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3675 3.7477 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2559 3.4956 1.7544 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0679 4.2725 0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4628 2.1624 -2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1947 -2.8945 -0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7232 -2.5710 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0123 0.8530 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1469 -2.6234 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3505 0.8807 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9023 1.6103 2.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2295 -2.8899 1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7519 -1.9583 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3195 -1.4200 2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2175 4.3589 -1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0266 3.9057 2.7336 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3111 5.2864 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6351 3.2270 -2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2108 1.7829 -1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5664 1.6217 -3.4338 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 14 1 0 0 0 0
1 23 1 0 0 0 0
2 22 1 0 0 0 0
3 22 1 0 0 0 0
4 22 1 0 0 0 0
5 20 1 0 0 0 0
5 27 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 13 1 0 0 0 0
9 10 2 0 0 0 0
9 15 1 0 0 0 0
10 12 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
12 20 1 0 0 0 0
12 21 2 0 0 0 0
13 15 2 0 0 0 0
13 28 1 0 0 0 0
14 18 2 0 0 0 0
14 19 1 0 0 0 0
15 22 1 0 0 0 0
16 18 1 0 0 0 0
16 29 1 0 0 0 0
17 19 2 0 0 0 0
17 30 1 0 0 0 0
18 31 1 0 0 0 0
19 32 1 0 0 0 0
20 24 2 0 0 0 0
21 25 1 0 0 0 0
21 33 1 0 0 0 0
23 34 1 0 0 0 0
23 35 1 0 0 0 0
23 36 1 0 0 0 0
24 26 1 0 0 0 0
24 37 1 0 0 0 0
25 26 2 0 0 0 0
25 38 1 0 0 0 0
26 39 1 0 0 0 0
27 40 1 0 0 0 0
27 41 1 0 0 0 0
27 42 1 0 0 0 0
M END
$$$$