B2QX6B
-OEChem-04022115533D
40 42 0 0 0 0 0 0 0999 V2000
4.0904 -0.0283 -0.7683 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 -0.0360 0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1694 -0.0508 -1.0351 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2629 0.0082 1.3721 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5891 0.0692 0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0214 1.2932 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0915 -1.2098 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4994 1.2089 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5671 -1.2149 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6363 -0.0717 -0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3848 -0.0257 0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2982 -0.0060 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5185 -0.0400 -1.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6091 0.0171 1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7380 0.0042 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4250 1.2169 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4449 -1.1982 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8189 1.2271 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8386 -1.1881 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5256 0.0246 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6840 0.0996 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2799 0.0799 1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2989 2.2003 0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4670 1.3755 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5420 -1.3037 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4186 -2.0792 0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0568 1.2825 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1552 2.0788 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2731 -2.1233 -0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1263 -1.2754 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3586 0.7648 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3916 -0.9715 -1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1897 -0.0248 1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9583 -0.0604 -2.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1246 0.0444 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8897 2.1636 -0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9252 -2.1525 0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3539 2.1713 -0.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3891 -2.1243 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6109 0.0325 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 9 1 0 0 0 0
1 10 1 0 0 0 0
2 10 1 0 0 0 0
2 11 1 0 0 0 0
2 33 1 0 0 0 0
3 11 1 0 0 0 0
3 13 2 0 0 0 0
4 11 2 0 0 0 0
4 14 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 21 1 0 0 0 0
5 22 1 0 0 0 0
6 8 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 9 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 34 1 0 0 0 0
14 35 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
16 18 1 0 0 0 0
16 36 1 0 0 0 0
17 19 2 0 0 0 0
17 37 1 0 0 0 0
18 20 2 0 0 0 0
18 38 1 0 0 0 0
19 20 1 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
M END
$$$$