B0Y8CE
-OEChem-04042106123D
76 80 0 1 0 0 0 0 0999 V2000
3.3645 1.1933 -2.1950 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1507 -2.0748 -0.3387 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7878 -0.2985 1.5652 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1041 0.7052 0.4341 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7529 -0.2942 0.1971 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2936 -0.5512 -0.6876 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8704 -0.4518 1.0252 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3949 -0.0583 2.2185 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4086 -0.9792 1.0423 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.9274 -1.2073 -0.8651 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6716 3.0678 1.3596 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0293 0.1443 -0.6708 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7292 0.7899 -2.0230 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9458 -0.8600 -0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8143 -1.1455 0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4186 1.0894 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4793 -1.2228 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7992 1.8072 -1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6506 1.9741 -2.3236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7141 -0.8165 0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9126 -0.9175 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0786 -0.7173 0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6516 1.7568 1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4185 -1.7187 -1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3664 -1.4740 0.1466 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4328 3.1473 -1.2766 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0828 -0.2816 2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9952 -1.4090 -1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3087 3.1030 0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7988 -1.8094 -1.7429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7024 3.7990 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2389 -0.3643 0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1604 -2.9695 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9106 0.8576 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9358 -1.5341 0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9515 0.2807 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2791 0.9098 0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3043 -1.4818 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9761 -0.2599 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4032 -0.2076 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2260 2.0788 1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3189 -1.2782 -1.2495 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6307 -0.3214 -2.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0859 0.9032 0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8975 0.0432 -2.8103 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7424 -0.8020 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2091 -2.1664 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5795 -0.9997 -1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5492 2.7584 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3891 2.4268 -3.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6999 1.6657 -2.3591 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3537 1.2778 1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3226 -2.0468 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6593 -1.3217 -0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7026 3.6818 -2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4542 -0.0493 2.9638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9339 -1.4762 -1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8179 -2.1972 -2.7583 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7348 3.6069 1.6229 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4252 4.8414 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8598 -3.1951 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0748 -3.5308 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3686 -3.3456 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1683 -1.6581 1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4364 -2.5000 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1879 1.0633 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4165 0.1682 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7242 0.6303 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7992 1.8655 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8138 -2.4203 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3106 -1.8920 -1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9377 -1.0430 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5250 -2.3093 -1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6818 -0.4061 -2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4406 0.7168 -2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0122 -0.5386 -3.2588 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 18 1 0 0 0 0
2 14 2 0 0 0 0
3 22 2 0 0 0 0
4 40 2 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
5 16 1 0 0 0 0
6 12 1 0 0 0 0
6 22 1 0 0 0 0
6 48 1 0 0 0 0
7 8 1 0 0 0 0
7 21 1 0 0 0 0
7 32 1 0 0 0 0
8 27 2 0 0 0 0
9 25 1 0 0 0 0
9 36 1 0 0 0 0
9 64 1 0 0 0 0
10 40 1 0 0 0 0
10 42 1 0 0 0 0
10 71 1 0 0 0 0
11 41 3 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 44 1 0 0 0 0
13 19 1 0 0 0 0
13 45 1 0 0 0 0
15 17 1 0 0 0 0
15 46 1 0 0 0 0
15 47 1 0 0 0 0
16 18 1 0 0 0 0
16 23 2 0 0 0 0
17 20 2 0 0 0 0
17 24 1 0 0 0 0
18 26 2 0 0 0 0
19 49 1 0 0 0 0
19 50 1 0 0 0 0
19 51 1 0 0 0 0
20 21 1 0 0 0 0
20 27 1 0 0 0 0
21 28 2 0 0 0 0
22 25 1 0 0 0 0
23 29 1 0 0 0 0
23 52 1 0 0 0 0
24 30 2 0 0 0 0
24 53 1 0 0 0 0
25 33 1 0 0 0 0
25 54 1 0 0 0 0
26 31 1 0 0 0 0
26 55 1 0 0 0 0
27 56 1 0 0 0 0
28 30 1 0 0 0 0
28 57 1 0 0 0 0
29 31 2 0 0 0 0
29 59 1 0 0 0 0
30 58 1 0 0 0 0
31 60 1 0 0 0 0
32 34 2 0 0 0 0
32 35 1 0 0 0 0
33 61 1 0 0 0 0
33 62 1 0 0 0 0
33 63 1 0 0 0 0
34 37 1 0 0 0 0
34 41 1 0 0 0 0
35 38 2 0 0 0 0
35 65 1 0 0 0 0
36 66 1 0 0 0 0
36 67 1 0 0 0 0
36 68 1 0 0 0 0
37 39 2 0 0 0 0
37 69 1 0 0 0 0
38 39 1 0 0 0 0
38 70 1 0 0 0 0
39 40 1 0 0 0 0
42 43 1 0 0 0 0
42 72 1 0 0 0 0
42 73 1 0 0 0 0
43 74 1 0 0 0 0
43 75 1 0 0 0 0
43 76 1 0 0 0 0
M END
$$$$