D01XLZ
-OEChem-10191522242D
47 50 0 0 0 0 0 0 0999 V2000
8.4939 0.7699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4039 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.8660 1.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 -0.9621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -2.6942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -0.9008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9039 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
7.9939 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 -2.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -3.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6995 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0531 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0102 2.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3638 3.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3423 3.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5190 -1.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5190 -2.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0765 -0.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3863 -0.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 -2.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 -1.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9113 -2.9062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6016 -3.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4570 -3.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3039 -4.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 -3.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6029 -1.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.9061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1136 1.4039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4465 2.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6168 2.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9497 3.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5349 4.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 7 1 0 0 0 0
3 7 2 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 12 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
5 16 1 0 0 0 0
6 13 1 0 0 0 0
6 17 1 0 0 0 0
6 39 1 0 0 0 0
7 21 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 11 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
14 18 1 0 0 0 0
15 17 2 0 0 0 0
15 19 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 20 1 0 0 0 0
18 23 2 0 0 0 0
18 24 1 0 0 0 0
19 21 2 0 0 0 0
19 40 1 0 0 0 0
20 22 2 0 0 0 0
20 41 1 0 0 0 0
21 22 1 0 0 0 0
22 42 1 0 0 0 0
23 25 1 0 0 0 0
23 43 1 0 0 0 0
24 26 2 0 0 0 0
24 44 1 0 0 0 0
25 27 2 0 0 0 0
25 45 1 0 0 0 0
26 27 1 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
M CHG 2 2 -1 7 1
M END
$$$$