D09TCT
-OEChem-10101305022D
95 98 0 1 0 0 0 0 0999 V2000
6.2247 2.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9176 -0.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5568 3.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5854 -1.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2783 -4.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.1493 -2.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9355 1.7552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2712 0.2666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2962 -2.1725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3392 -4.1944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9105 4.1944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9211 -2.5043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.8781 -2.0919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2677 2.4996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5819 1.2172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9785 1.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6284 -1.4282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6499 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5604 1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3392 -2.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9140 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9390 -0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3930 -2.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5783 3.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3930 -3.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8710 2.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9228 -3.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5270 -2.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2747 -1.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5270 -4.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2032 3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8495 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9426 -2.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6610 -2.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6610 -3.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5138 4.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1602 3.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5674 -3.0424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.2353 -3.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5889 -3.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4924 4.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2138 -3.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8816 -4.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5244 -2.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8601 -4.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5030 -2.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1708 -3.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2686 2.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6754 2.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0751 1.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9752 1.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5852 1.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2351 -1.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6293 -1.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0361 -1.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5809 0.8037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1742 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7429 1.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6645 0.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1849 0.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0604 0.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1078 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8721 1.7433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3933 1.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1279 0.5299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1036 -2.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5428 -3.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5318 -4.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5270 -1.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5270 -5.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5965 2.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2636 2.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4162 -3.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1738 -3.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1240 -2.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1240 -4.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1031 4.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3038 4.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1741 -2.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0998 4.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7669 3.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1137 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7089 -4.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4665 -4.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6850 4.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4848 -1.9640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4640 -1.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6890 -4.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1104 -2.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2742 -4.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6956 -1.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5634 -3.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 2 0 0 0 0
2 23 2 0 0 0 0
3 27 2 0 0 0 0
4 32 2 0 0 0 0
5 43 2 0 0 0 0
6 50 1 0 0 0 0
6 95 1 0 0 0 0
15 7 1 1 0 0 0
7 22 1 0 0 0 0
7 61 1 0 0 0 0
16 8 1 6 0 0 0
8 23 1 0 0 0 0
8 62 1 0 0 0 0
18 9 1 1 0 0 0
9 32 1 0 0 0 0
9 69 1 0 0 0 0
10 28 1 0 0 0 0
10 30 1 0 0 0 0
10 71 1 0 0 0 0
11 27 1 0 0 0 0
11 80 1 0 0 0 0
11 81 1 0 0 0 0
12 36 1 0 0 0 0
12 43 1 0 0 0 0
12 85 1 0 0 0 0
41 13 1 1 0 0 0
13 89 1 0 0 0 0
13 90 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
14 51 1 0 0 0 0
14 52 1 0 0 0 0
15 27 1 0 0 0 0
15 53 1 0 0 0 0
16 20 1 0 0 0 0
16 22 1 0 0 0 0
16 54 1 0 0 0 0
17 25 1 0 0 0 0
17 26 1 0 0 0 0
17 55 1 0 0 0 0
18 19 1 0 0 0 0
18 23 1 0 0 0 0
18 56 1 0 0 0 0
19 21 1 0 0 0 0
19 57 1 0 0 0 0
19 58 1 0 0 0 0
20 29 1 0 0 0 0
20 59 1 0 0 0 0
20 60 1 0 0 0 0
21 24 1 0 0 0 0
21 30 2 0 0 0 0
24 28 1 0 0 0 0
24 31 2 0 0 0 0
25 66 1 0 0 0 0
25 67 1 0 0 0 0
25 68 1 0 0 0 0
26 63 1 0 0 0 0
26 64 1 0 0 0 0
26 65 1 0 0 0 0
28 33 2 0 0 0 0
29 34 2 0 0 0 0
29 35 1 0 0 0 0
30 70 1 0 0 0 0
31 37 1 0 0 0 0
31 72 1 0 0 0 0
32 36 1 0 0 0 0
33 38 1 0 0 0 0
33 73 1 0 0 0 0
34 39 1 0 0 0 0
34 74 1 0 0 0 0
35 40 2 0 0 0 0
35 75 1 0 0 0 0
36 76 1 0 0 0 0
36 77 1 0 0 0 0
37 38 2 0 0 0 0
37 78 1 0 0 0 0
38 79 1 0 0 0 0
39 44 2 0 0 0 0
39 83 1 0 0 0 0
40 44 1 0 0 0 0
40 84 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
41 82 1 0 0 0 0
42 45 1 0 0 0 0
42 86 1 0 0 0 0
42 87 1 0 0 0 0
44 88 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
46 48 1 0 0 0 0
46 91 1 0 0 0 0
47 49 2 0 0 0 0
47 92 1 0 0 0 0
48 50 2 0 0 0 0
48 93 1 0 0 0 0
49 50 1 0 0 0 0
49 94 1 0 0 0 0
M END
$$$$