B86OMJ
-OEChem-04012113533D
33 34 0 0 0 0 0 0 0999 V2000
2.7252 1.0071 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1479 -1.1144 -0.7290 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4247 -0.6688 -0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9252 0.0834 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8871 -1.0014 0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5754 -0.0171 0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3792 0.7477 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2190 -0.9242 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3508 0.2235 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8408 -0.0952 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5672 1.3313 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5290 -0.3583 0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8027 1.0684 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7718 -0.0482 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6459 0.7461 0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9751 0.3844 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4713 -1.3642 -0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3546 1.0773 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7790 0.0104 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4460 -1.9911 0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0584 -0.8997 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1679 -1.0161 0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7001 0.1124 1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0849 -1.0575 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7032 0.0428 -0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8930 -1.7088 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4405 -0.5448 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9903 1.9896 -1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9419 -1.0144 1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4294 1.5296 -1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3275 1.5999 1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7388 0.9485 1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8040 -2.2155 -1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
2 14 2 0 0 0 0
2 17 1 0 0 0 0
3 16 1 0 0 0 0
3 17 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 18 1 0 0 0 0
4 19 1 0 0 0 0
5 8 1 0 0 0 0
5 20 1 0 0 0 0
5 21 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
10 12 1 0 0 0 0
10 27 1 0 0 0 0
11 13 2 0 0 0 0
11 28 1 0 0 0 0
12 29 1 0 0 0 0
13 30 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 31 1 0 0 0 0
16 32 1 0 0 0 0
17 33 1 0 0 0 0
M END
$$$$