D0W1PV
-OEChem-10121501392D
94 97 0 1 0 0 0 0 0999 V2000
10.4298 1.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2305 2.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5203 -2.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0077 -0.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0831 -2.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9318 5.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7559 2.2273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0720 -0.5530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7650 1.2614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1402 -1.0706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0154 -2.9154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8898 2.7273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.8738 3.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6659 2.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7718 4.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6739 3.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7791 0.1541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7559 1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6731 -0.2939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0238 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8990 0.7614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5082 0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8473 -1.7777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9330 1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7321 -1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8132 -1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3990 -0.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5884 -2.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6742 1.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4022 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7083 2.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6225 -3.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4495 3.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2671 -3.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8505 -2.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2685 -3.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4836 3.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7195 -4.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7224 -4.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2247 4.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1734 -5.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1749 -5.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 4.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3038 -3.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 5.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1505 3.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6558 4.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2646 3.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8704 2.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2775 2.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1691 4.7725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3709 4.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2839 3.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8875 4.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9149 -0.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1554 -0.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8180 1.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5351 -0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8780 0.7539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0823 0.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2569 0.8839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2484 -1.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3154 0.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8790 0.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1132 -1.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7687 -1.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3510 -1.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6425 -3.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2061 -2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2919 2.0401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7283 2.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5413 -1.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1244 -0.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9565 -0.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6800 0.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0907 2.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6543 1.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0671 3.2649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5035 3.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8840 -1.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8659 3.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4295 2.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3386 -4.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1034 -4.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4540 -6.2132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8363 -6.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6412 4.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2048 4.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9152 -2.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8206 -3.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6923 -3.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5989 5.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8395 6.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4011 5.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 20 2 0 0 0 0
3 26 2 0 0 0 0
4 27 2 0 0 0 0
5 11 1 0 0 0 0
5 44 1 0 0 0 0
6 40 2 0 0 0 0
7 12 1 0 0 0 0
7 14 1 0 0 0 0
7 18 1 0 0 0 0
8 17 1 0 0 0 0
8 26 1 0 0 0 0
8 58 1 0 0 0 0
9 20 1 0 0 0 0
9 21 1 0 0 0 0
9 61 1 0 0 0 0
10 23 1 0 0 0 0
10 27 1 0 0 0 0
10 72 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 13 1 0 0 0 0
12 20 1 0 0 0 0
12 46 1 6 0 0 0
13 15 1 0 0 0 0
13 47 1 0 0 0 0
13 48 1 0 0 0 0
14 16 1 0 0 0 0
14 49 1 0 0 0 0
14 50 1 0 0 0 0
15 16 1 0 0 0 0
15 51 1 0 0 0 0
15 52 1 0 0 0 0
16 53 1 0 0 0 0
16 54 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
17 55 1 1 0 0 0
19 22 1 0 0 0 0
19 25 1 6 0 0 0
19 56 1 0 0 0 0
21 24 1 6 0 0 0
21 27 1 0 0 0 0
21 57 1 0 0 0 0
22 30 1 0 0 0 0
22 59 1 0 0 0 0
22 60 1 0 0 0 0
23 26 1 0 0 0 0
23 28 1 6 0 0 0
23 62 1 0 0 0 0
24 29 1 0 0 0 0
24 63 1 0 0 0 0
24 64 1 0 0 0 0
25 65 1 0 0 0 0
25 66 1 0 0 0 0
25 67 1 0 0 0 0
28 32 1 0 0 0 0
28 68 1 0 0 0 0
28 69 1 0 0 0 0
29 31 1 0 0 0 0
29 70 1 0 0 0 0
29 71 1 0 0 0 0
30 73 1 0 0 0 0
30 74 1 0 0 0 0
30 75 1 0 0 0 0
31 33 1 0 0 0 0
31 76 1 0 0 0 0
31 77 1 0 0 0 0
32 34 1 0 0 0 0
32 35 2 0 0 0 0
33 37 1 0 0 0 0
33 78 1 0 0 0 0
33 79 1 0 0 0 0
34 36 1 0 0 0 0
34 38 2 0 0 0 0
35 80 1 0 0 0 0
36 39 2 0 0 0 0
37 40 1 0 0 0 0
37 81 1 0 0 0 0
37 82 1 0 0 0 0
38 41 1 0 0 0 0
38 83 1 0 0 0 0
39 42 1 0 0 0 0
39 84 1 0 0 0 0
40 43 1 0 0 0 0
41 42 2 0 0 0 0
41 85 1 0 0 0 0
42 86 1 0 0 0 0
43 45 1 0 0 0 0
43 87 1 0 0 0 0
43 88 1 0 0 0 0
44 89 1 0 0 0 0
44 90 1 0 0 0 0
44 91 1 0 0 0 0
45 92 1 0 0 0 0
45 93 1 0 0 0 0
45 94 1 0 0 0 0
M END
$$$$