BDLN78
-OEChem-04022114343D
42 45 0 1 0 0 0 0 0999 V2000
0.9919 0.5351 1.9110 S 0 0 0 0 0 0 0 0 0 0 0 0
4.9712 -1.2180 -1.4116 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4467 -3.1121 0.3192 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2218 1.9073 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5430 -0.7482 0.6574 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2041 -0.2417 -0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3783 0.6578 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7586 -1.5854 0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1354 1.9961 0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7606 0.0892 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0593 2.4931 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8199 -1.0105 -0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8134 -2.9293 0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3621 2.6760 0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9608 -1.2627 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8505 0.9107 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2436 3.6659 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9362 -1.7793 -0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9296 -3.6983 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9911 -3.1233 -0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5293 3.8336 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4707 4.3285 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2510 -1.7931 0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1406 0.3803 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3409 -0.9716 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1487 -1.3905 1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4543 0.3042 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5590 -1.0943 -1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7924 0.0318 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9946 -3.3925 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2029 2.3117 1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1307 -1.9203 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7180 1.9649 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5775 4.0723 -1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9721 -4.7448 0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8549 -3.7332 -0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4845 4.3505 0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 5.2330 -1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9892 1.0193 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3482 -1.3789 -0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6571 -1.8927 -1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5862 -3.5301 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 9 1 0 0 0 0
2 18 1 0 0 0 0
2 41 1 0 0 0 0
3 23 1 0 0 0 0
3 42 1 0 0 0 0
4 7 2 0 0 0 0
4 11 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 26 1 0 0 0 0
6 7 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 10 1 0 0 0 0
8 12 2 0 0 0 0
8 13 1 0 0 0 0
9 11 1 0 0 0 0
9 14 2 0 0 0 0
10 15 2 0 0 0 0
10 16 1 0 0 0 0
11 17 2 0 0 0 0
12 18 1 0 0 0 0
12 29 1 0 0 0 0
13 19 2 0 0 0 0
13 30 1 0 0 0 0
14 21 1 0 0 0 0
14 31 1 0 0 0 0
15 23 1 0 0 0 0
15 32 1 0 0 0 0
16 24 2 0 0 0 0
16 33 1 0 0 0 0
17 22 1 0 0 0 0
17 34 1 0 0 0 0
18 20 2 0 0 0 0
19 20 1 0 0 0 0
19 35 1 0 0 0 0
20 36 1 0 0 0 0
21 22 2 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
23 25 2 0 0 0 0
24 25 1 0 0 0 0
24 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$