B1B6OU
-OEChem-04022115583D
49 52 0 1 0 0 0 0 0999 V2000
3.6956 -0.7476 1.7290 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4079 -3.7308 0.6137 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3709 -0.1099 -2.0142 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5971 0.2737 -0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3294 -2.4473 0.2413 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1327 -0.0612 -0.5189 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9636 2.9686 1.9573 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -1.1784 -0.3514 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2983 -1.5622 -0.5089 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3282 -0.4392 -0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7362 0.8908 0.5391 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6881 -0.5418 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0587 -1.2163 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6262 0.5461 -1.5775 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9656 -2.7258 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6666 1.3025 -0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7057 1.6039 -1.7501 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8562 -0.4131 -0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0276 0.7197 -1.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7600 -0.3983 0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2673 0.8646 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1141 0.2225 0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3042 2.0526 1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4431 1.5166 -0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1335 0.2182 1.6063 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4780 1.5182 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3244 0.8739 1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0068 -1.3976 -1.3619 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2292 -1.8646 -1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2700 0.2936 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1811 0.1061 0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2118 0.1534 1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9601 -0.6568 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6190 -2.1331 0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6479 0.8806 -1.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9025 -0.3803 -2.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0158 -3.0922 0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3171 2.1503 -0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3026 0.4538 -0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2765 2.6053 -1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1854 1.5583 -2.7317 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2029 0.1626 -2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5580 1.6839 -1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1696 0.0366 1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8170 -1.4861 0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5636 2.0145 -1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0167 -0.2785 2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4127 2.0227 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1419 0.8867 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 15 2 0 0 0 0
3 18 2 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
4 14 1 0 0 0 0
5 8 1 0 0 0 0
5 15 1 0 0 0 0
5 37 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
6 20 1 0 0 0 0
7 23 3 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
9 15 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 16 1 0 0 0 0
11 23 1 0 0 0 0
11 32 1 0 0 0 0
13 18 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 17 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
16 17 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
19 21 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
20 22 1 0 0 0 0
20 44 1 0 0 0 0
20 45 1 0 0 0 0
21 22 1 0 0 0 0
21 24 2 0 0 0 0
22 25 2 0 0 0 0
24 26 1 0 0 0 0
24 46 1 0 0 0 0
25 27 1 0 0 0 0
25 47 1 0 0 0 0
26 27 2 0 0 0 0
26 48 1 0 0 0 0
27 49 1 0 0 0 0
M END
$$$$