D00CEG
-OEChem-10101305032D
94 98 0 1 0 0 0 0 0999 V2000
6.1969 1.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7827 4.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9914 0.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4817 2.7886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4914 -2.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9914 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9914 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9914 -1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9078 0.3090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7598 2.9756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9914 -1.3618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.4914 -2.2278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5506 2.0038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4914 -0.4957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9078 -1.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5618 1.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2184 1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9615 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9615 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1567 2.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9010 3.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4914 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 0.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 -1.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6747 3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2062 3.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6948 4.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9914 -1.3618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2295 0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2295 -0.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4914 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7443 4.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6976 4.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4914 -0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4914 -2.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9914 -1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6126 5.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2941 5.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1012 3.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9914 -1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9914 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4914 -2.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9914 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4914 -3.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9914 -4.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4914 -3.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4914 -5.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9914 -4.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4914 -5.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1498 2.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7731 0.0566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6567 -1.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4451 -1.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9722 1.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6906 1.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 1.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 -2.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7448 2.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6814 -1.8987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1563 4.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6814 -0.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6926 0.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6926 -1.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5990 0.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9088 -0.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 4.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6164 5.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0740 -0.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3837 0.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4088 -1.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0990 -1.9723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8628 4.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1799 5.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5340 3.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3514 3.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6685 4.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8613 5.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0439 6.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7268 5.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3624 5.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5740 -1.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8837 -0.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1814 -2.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4544 -3.4038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3014 -3.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5283 -2.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5740 -2.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8837 -2.4832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3714 -4.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8014 -3.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1814 -6.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6114 -4.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8014 -6.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 25 1 0 0 0 0
2 34 1 0 0 0 0
3 22 2 0 0 0 0
4 25 2 0 0 0 0
5 36 1 0 0 0 0
5 42 1 0 0 0 0
6 36 2 0 0 0 0
7 43 1 0 0 0 0
7 44 1 0 0 0 0
8 43 2 0 0 0 0
9 14 1 0 0 0 0
9 17 1 0 0 0 0
9 18 1 0 0 0 0
10 13 1 0 0 0 0
10 21 1 0 0 0 0
10 25 1 0 0 0 0
11 22 1 0 0 0 0
28 11 1 1 0 0 0
11 60 1 0 0 0 0
12 41 1 0 0 0 0
12 43 1 0 0 0 0
12 84 1 0 0 0 0
13 16 1 0 0 0 0
13 17 1 6 0 0 0
13 51 1 0 0 0 0
14 15 1 0 0 0 0
14 22 1 6 0 0 0
14 52 1 0 0 0 0
15 19 1 0 0 0 0
15 53 1 0 0 0 0
15 54 1 0 0 0 0
16 20 1 0 0 0 0
16 55 1 0 0 0 0
16 56 1 0 0 0 0
18 19 1 0 0 0 0
18 23 2 0 0 0 0
19 24 2 0 0 0 0
20 21 1 0 0 0 0
20 26 2 0 0 0 0
21 27 2 0 0 0 0
23 29 1 0 0 0 0
23 57 1 0 0 0 0
24 30 1 0 0 0 0
24 58 1 0 0 0 0
26 32 1 0 0 0 0
26 59 1 0 0 0 0
27 33 1 0 0 0 0
27 61 1 0 0 0 0
28 31 1 0 0 0 0
28 36 1 0 0 0 0
28 62 1 0 0 0 0
29 30 2 0 0 0 0
29 63 1 0 0 0 0
30 64 1 0 0 0 0
31 35 1 0 0 0 0
31 65 1 0 0 0 0
31 66 1 0 0 0 0
32 33 2 0 0 0 0
32 67 1 0 0 0 0
33 68 1 0 0 0 0
34 38 1 0 0 0 0
34 39 1 0 0 0 0
34 40 1 0 0 0 0
35 37 1 0 0 0 0
35 69 1 0 0 0 0
35 70 1 0 0 0 0
37 41 1 0 0 0 0
37 71 1 0 0 0 0
37 72 1 0 0 0 0
38 73 1 0 0 0 0
38 74 1 0 0 0 0
38 81 1 0 0 0 0
39 78 1 0 0 0 0
39 79 1 0 0 0 0
39 80 1 0 0 0 0
40 75 1 0 0 0 0
40 76 1 0 0 0 0
40 77 1 0 0 0 0
41 82 1 0 0 0 0
41 83 1 0 0 0 0
42 85 1 0 0 0 0
42 86 1 0 0 0 0
42 87 1 0 0 0 0
44 45 1 0 0 0 0
44 88 1 0 0 0 0
44 89 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 90 1 0 0 0 0
47 49 2 0 0 0 0
47 91 1 0 0 0 0
48 50 2 0 0 0 0
48 92 1 0 0 0 0
49 50 1 0 0 0 0
49 93 1 0 0 0 0
50 94 1 0 0 0 0
M END
$$$$