BD7VL9
-OEChem-04022109422D
67 70 0 1 0 0 0 0 0999 V2000
5.0516 0.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3857 2.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1240 3.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5906 4.0488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3322 -3.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7717 -2.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0886 1.9018 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.1876 1.4680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2866 1.9018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6015 1.1815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.7978 0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0420 1.6206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0734 0.3066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9021 0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0641 2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3111 2.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9438 2.0529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6876 3.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6104 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6876 3.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6395 -0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8235 1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2028 -1.4206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.5475 2.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1152 3.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2000 -1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5311 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7689 -2.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8983 -4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3955 1.7663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2486 0.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9835 0.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7194 1.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9183 0.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5204 0.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6776 3.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5055 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8697 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6977 3.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2684 2.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8256 4.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1290 3.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7980 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0610 1.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2462 3.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5496 4.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1361 -0.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1956 -1.0273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3393 2.9540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4734 1.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2958 1.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4718 -0.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7248 1.6732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5089 0.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6216 0.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4911 0.1435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2463 -1.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8183 -1.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1537 -0.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4194 1.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1410 1.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6429 2.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3397 -3.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6293 -4.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4569 -4.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8 1 1 1 0 0 0
1 13 1 0 0 0 0
9 2 1 6 0 0 0
2 51 1 0 0 0 0
3 17 1 0 0 0 0
3 26 1 0 0 0 0
4 26 2 0 0 0 0
5 29 1 0 0 0 0
5 30 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
7 12 1 0 0 0 0
7 16 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
9 10 1 0 0 0 0
9 15 1 0 0 0 0
10 13 1 0 0 0 0
10 19 1 6 0 0 0
10 31 1 0 0 0 0
11 14 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 14 1 0 0 0 0
12 17 1 0 0 0 0
12 34 1 1 0 0 0
13 21 1 1 0 0 0
13 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 18 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 20 1 0 0 0 0
16 40 1 0 0 0 0
16 41 1 0 0 0 0
17 22 1 0 0 0 0
17 42 1 6 0 0 0
18 20 1 0 0 0 0
18 43 1 0 0 0 0
18 44 1 0 0 0 0
19 25 1 0 0 0 0
19 45 1 0 0 0 0
19 46 1 0 0 0 0
20 47 1 0 0 0 0
20 48 1 0 0 0 0
21 23 1 0 0 0 0
21 49 1 0 0 0 0
21 50 1 0 0 0 0
22 24 1 0 0 0 0
22 52 1 0 0 0 0
22 53 1 0 0 0 0
23 27 1 6 0 0 0
23 29 1 0 0 0 0
23 54 1 0 0 0 0
24 26 1 0 0 0 0
24 28 1 1 0 0 0
24 55 1 0 0 0 0
25 56 1 0 0 0 0
25 57 1 0 0 0 0
25 58 1 0 0 0 0
27 59 1 0 0 0 0
27 60 1 0 0 0 0
27 61 1 0 0 0 0
28 62 1 0 0 0 0
28 63 1 0 0 0 0
28 64 1 0 0 0 0
30 65 1 0 0 0 0
30 66 1 0 0 0 0
30 67 1 0 0 0 0
M END
$$$$