B41UPW
-OEChem-04022104502D
78 81 0 1 0 0 0 0 0999 V2000
3.3801 -4.6330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0822 4.5619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1519 -1.3303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2958 -1.9236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5964 -2.9145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.0580 -0.2929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.9742 -1.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6316 -2.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3573 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9738 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9590 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1571 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9922 -3.7113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4739 -2.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2875 -0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5580 1.8978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1815 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0927 2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5580 1.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9346 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5789 3.6978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0234 2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5372 3.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9644 3.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9529 2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7759 -5.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3723 -4.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5855 5.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0822 4.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 -2.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7974 -0.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5345 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2972 -1.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5533 -3.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2350 -3.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7407 -1.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1879 -2.0681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3270 -1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4833 -0.4074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6206 -0.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0970 -0.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5790 0.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6073 -3.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1207 -1.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9644 -2.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8271 -3.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 -0.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4061 1.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7401 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5681 1.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3301 1.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1988 3.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0774 -2.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3848 -3.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9226 -4.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5444 3.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5536 2.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6433 4.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9535 3.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2682 2.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5049 3.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6607 3.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6367 1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4862 1.9656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2691 2.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2819 -5.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4013 -5.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2699 -5.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2949 -5.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9874 -4.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4497 -4.1427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1237 5.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2776 5.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0474 5.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0798 3.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7022 4.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0846 5.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13 1 1 1 0 0 0
1 27 1 0 0 0 0
1 28 1 0 0 0 0
21 2 1 6 0 0 0
2 29 1 0 0 0 0
2 30 1 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 10 1 1 0 0 0
4 5 1 0 0 0 0
4 9 1 0 0 0 0
4 14 1 6 0 0 0
5 8 1 0 0 0 0
5 13 1 0 0 0 0
5 31 1 1 0 0 0
6 11 1 0 0 0 0
6 12 1 0 0 0 0
6 32 1 6 0 0 0
7 8 1 0 0 0 0
7 33 1 0 0 0 0
7 34 1 0 0 0 0
8 35 1 0 0 0 0
8 36 1 0 0 0 0
9 15 1 0 0 0 0
9 37 1 0 0 0 0
9 38 1 0 0 0 0
10 39 1 0 0 0 0
10 40 1 0 0 0 0
10 41 1 0 0 0 0
11 17 1 0 0 0 0
11 42 1 0 0 0 0
11 43 1 0 0 0 0
12 15 2 0 0 0 0
12 20 1 0 0 0 0
13 22 1 0 0 0 0
13 44 1 0 0 0 0
14 45 1 0 0 0 0
14 46 1 0 0 0 0
14 47 1 0 0 0 0
15 48 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 19 1 0 0 0 0
16 49 1 1 0 0 0
17 50 1 0 0 0 0
17 51 1 0 0 0 0
18 21 1 0 0 0 0
18 25 1 0 0 0 0
18 26 1 0 0 0 0
19 20 2 0 0 0 0
19 23 1 0 0 0 0
20 52 1 0 0 0 0
21 24 1 0 0 0 0
21 53 1 0 0 0 0
22 54 1 0 0 0 0
22 55 1 0 0 0 0
22 56 1 0 0 0 0
23 24 1 0 0 0 0
23 57 1 0 0 0 0
23 58 1 0 0 0 0
24 59 1 0 0 0 0
24 60 1 0 0 0 0
25 61 1 0 0 0 0
25 62 1 0 0 0 0
25 63 1 0 0 0 0
26 64 1 0 0 0 0
26 65 1 0 0 0 0
26 66 1 0 0 0 0
27 67 1 0 0 0 0
27 68 1 0 0 0 0
27 69 1 0 0 0 0
28 70 1 0 0 0 0
28 71 1 0 0 0 0
28 72 1 0 0 0 0
29 73 1 0 0 0 0
29 74 1 0 0 0 0
29 75 1 0 0 0 0
30 76 1 0 0 0 0
30 77 1 0 0 0 0
30 78 1 0 0 0 0
M END
$$$$