B0IT9D
-OEChem-04042104123D
39 41 0 1 0 0 0 0 0999 V2000
-1.3188 -0.6642 0.3162 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6053 2.1956 1.1215 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3391 0.4058 -0.0447 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1254 1.0589 -0.8446 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5156 -2.7805 -0.5619 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8061 -1.2011 0.1307 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1588 -0.5203 0.7381 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.4765 0.2320 0.9328 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5842 1.0874 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1429 1.5018 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 0.2767 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2624 1.3812 -0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3583 -1.7840 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9683 1.4972 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3955 1.0969 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7545 -0.2480 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1253 -0.5675 -0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3529 2.1118 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0884 0.4530 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7012 1.7899 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4872 -1.9212 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5122 -2.9055 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1975 -2.4958 0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6679 -0.7205 1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3988 0.8921 1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3456 -0.4179 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9563 0.4808 -1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2520 1.9446 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9301 1.6580 -1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8857 2.4107 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4517 2.3493 -0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5738 1.3885 -1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5121 0.4827 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0561 3.1575 0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1465 0.2119 -0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4483 2.5755 -0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5316 -2.2160 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7743 -3.9568 0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3918 -3.2201 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 14 2 0 0 0 0
3 7 1 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
4 12 1 0 0 0 0
4 14 1 0 0 0 0
4 33 1 0 0 0 0
5 13 3 0 0 0 0
6 16 1 0 0 0 0
6 23 2 0 0 0 0
7 8 1 0 0 0 0
7 13 1 0 0 0 0
7 24 1 0 0 0 0
8 9 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 10 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 12 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 18 2 0 0 0 0
16 17 2 0 0 0 0
17 19 1 0 0 0 0
17 21 1 0 0 0 0
18 20 1 0 0 0 0
18 34 1 0 0 0 0
19 20 2 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 23 1 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
M END
$$$$