B3S6BE
-OEChem-04022113413D
79 83 0 1 0 0 0 0 0999 V2000
-1.9484 -4.5759 -1.5215 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.9717 1.3778 4.0959 F 0 0 0 0 0 0 0 0 0 0 0 0
-6.6393 0.0558 3.6495 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.6905 -0.7783 4.1081 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.7685 -1.7037 -2.3730 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.5397 -3.0662 -0.6940 F 0 0 0 0 0 0 0 0 0 0 0 0
-6.4884 -2.2315 -1.1518 F 0 0 0 0 0 0 0 0 0 0 0 0
5.2618 2.2939 -1.1314 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5948 3.2925 -2.0967 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3309 -0.4301 1.2347 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4278 0.9061 -0.9085 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0252 -0.7008 1.1474 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0940 1.5889 -0.7315 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3207 2.8512 -2.4758 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2877 -0.0565 -0.5700 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1849 1.0443 -1.6545 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7922 -0.3598 -0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4527 1.8696 -1.4025 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6474 0.1116 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7751 1.2072 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4128 -1.2644 -0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7322 0.1997 1.2413 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0388 0.2189 -0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0952 1.8454 -1.6252 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7159 -0.8266 1.7998 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9950 -0.8073 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5460 -1.6521 0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5737 -1.9952 -1.9855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9768 2.4965 -1.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3001 2.7643 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3439 -2.7704 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2425 -0.5335 1.8064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7371 -0.8852 1.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2243 -3.1135 -2.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1831 -3.5011 -1.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9891 1.4788 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1706 3.8896 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3917 3.3574 -1.4693 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1934 -0.4769 3.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2602 0.3897 -0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3289 1.4287 1.4584 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8712 -0.7498 -0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9399 0.2895 1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2111 -0.7997 1.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3035 0.2349 3.4275 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1617 -1.9142 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0591 0.4185 0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2671 0.5965 -2.6544 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1166 -0.7111 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0943 -1.0998 -1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8255 2.3650 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3099 2.6291 -0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2492 -0.8687 -0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7510 0.0546 1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0616 1.2065 1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4597 1.2197 -0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9776 0.0770 -2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7855 -0.7067 2.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3550 -1.8443 1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6709 -1.8252 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9958 -0.6721 -0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3133 -1.7167 -2.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0953 -3.0866 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0736 0.1363 1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1855 -0.8751 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5005 -1.3531 2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0994 -3.6831 -3.1429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4912 3.5860 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1378 4.1695 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7412 4.7992 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3604 3.4873 -0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5389 2.7051 -2.3379 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0748 4.3330 -1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6070 0.3861 3.6385 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7715 -1.4024 3.7131 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2089 -0.3679 3.7057 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9887 0.4277 -1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1274 2.2508 2.1341 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6869 -1.6881 1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0
1 35 1 0 0 0 0
2 45 1 0 0 0 0
3 45 1 0 0 0 0
4 45 1 0 0 0 0
5 46 1 0 0 0 0
6 46 1 0 0 0 0
7 46 1 0 0 0 0
8 20 2 0 0 0 0
9 14 1 0 0 0 0
9 29 1 0 0 0 0
10 32 2 0 0 0 0
11 17 1 0 0 0 0
11 18 1 0 0 0 0
11 20 1 0 0 0 0
12 25 1 0 0 0 0
12 26 1 0 0 0 0
12 32 1 0 0 0 0
13 24 1 0 0 0 0
13 29 2 0 0 0 0
14 24 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 21 1 0 0 0 0
15 47 1 0 0 0 0
16 18 1 0 0 0 0
16 24 1 0 0 0 0
16 48 1 0 0 0 0
17 49 1 0 0 0 0
17 50 1 0 0 0 0
18 51 1 0 0 0 0
18 52 1 0 0 0 0
19 20 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
19 53 1 0 0 0 0
21 27 2 0 0 0 0
21 28 1 0 0 0 0
22 25 1 0 0 0 0
22 54 1 0 0 0 0
22 55 1 0 0 0 0
23 26 1 0 0 0 0
23 56 1 0 0 0 0
23 57 1 0 0 0 0
25 58 1 0 0 0 0
25 59 1 0 0 0 0
26 60 1 0 0 0 0
26 61 1 0 0 0 0
27 31 1 0 0 0 0
27 33 1 0 0 0 0
28 34 2 0 0 0 0
28 62 1 0 0 0 0
29 30 1 0 0 0 0
30 36 1 0 0 0 0
30 37 1 0 0 0 0
30 38 1 0 0 0 0
31 35 2 0 0 0 0
31 63 1 0 0 0 0
32 39 1 0 0 0 0
33 64 1 0 0 0 0
33 65 1 0 0 0 0
33 66 1 0 0 0 0
34 35 1 0 0 0 0
34 67 1 0 0 0 0
36 40 2 0 0 0 0
36 41 1 0 0 0 0
37 68 1 0 0 0 0
37 69 1 0 0 0 0
37 70 1 0 0 0 0
38 71 1 0 0 0 0
38 72 1 0 0 0 0
38 73 1 0 0 0 0
39 74 1 0 0 0 0
39 75 1 0 0 0 0
39 76 1 0 0 0 0
40 42 1 0 0 0 0
40 77 1 0 0 0 0
41 43 2 0 0 0 0
41 78 1 0 0 0 0
42 44 2 0 0 0 0
42 46 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
44 79 1 0 0 0 0
M END
$$$$