D0N6AS
-OEChem-10101305022D
134139 0 1 0 0 0 0 0999 V2000
5.6327 -0.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 -0.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9816 -2.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4732 -0.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9057 5.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7960 3.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2668 2.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4362 1.8501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9817 -2.6772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.9691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9817 -0.9451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3818 3.8490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4817 1.8528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0640 3.0939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2173 -1.2119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.9691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8665 1.1181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0483 -2.8212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2159 -0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7572 -1.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2373 -1.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8478 -2.1772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 1.4691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7538 -2.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7169 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8403 -3.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4817 -1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3748 2.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9817 -0.9451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7320 3.4691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9314 3.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9969 -1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4190 2.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0208 -4.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7464 -4.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3144 4.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2229 0.8868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5981 1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4817 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1309 -1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9215 3.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 4.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1074 -5.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8329 -5.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9300 1.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 2.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6874 5.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0134 -5.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2945 4.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9300 2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4439 2.0244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6774 5.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4477 2.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0265 -2.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0174 2.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0136 2.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5482 -1.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5872 3.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5834 3.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8627 1.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2853 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9112 0.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6554 -0.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1645 -1.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8960 -2.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2880 -2.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8572 -1.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8746 -2.7966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2070 1.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3714 -2.6548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9146 -2.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8213 -3.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8598 1.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3108 1.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9277 -0.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 3.7791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 3.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1400 -0.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2089 -1.7013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 2.8614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 3.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9311 2.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4591 -3.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2545 -3.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2917 -1.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 1.9691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8666 4.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6029 0.8868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4904 1.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1807 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3040 3.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5993 -5.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3947 -5.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2400 1.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5289 1.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 3.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4992 2.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3049 5.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0671 -6.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0434 2.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9083 4.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0882 1.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1449 3.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9087 5.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8025 -0.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4873 -3.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1779 3.4424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4555 3.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 4.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8532 2.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5755 2.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9316 -1.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5109 0.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7477 4.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0253 3.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5294 2.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2010 3.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6374 4.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7234 -0.1374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5473 -0.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8472 0.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 2 0 0 0 0
2 27 2 0 0 0 0
3 32 2 0 0 0 0
4 34 2 0 0 0 0
5 48 2 0 0 0 0
6 51 2 0 0 0 0
7 59 2 0 0 0 0
8 62 2 0 0 0 0
9 69 2 0 0 0 0
10 22 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 27 1 0 0 0 0
11 29 1 0 0 0 0
11 79 1 0 0 0 0
12 28 1 0 0 0 0
12 34 1 0 0 0 0
12 83 1 0 0 0 0
13 32 1 0 0 0 0
13 37 1 0 0 0 0
13 88 1 0 0 0 0
14 36 1 0 0 0 0
14 48 1 0 0 0 0
14 96 1 0 0 0 0
15 41 1 0 0 0 0
15 44 1 0 0 0 0
15 99 1 0 0 0 0
46 16 1 1 0 0 0
16 62 1 0 0 0 0
16112 1 0 0 0 0
17 55 1 0 0 0 0
17 59 1 0 0 0 0
17115 1 0 0 0 0
18 49 1 0 0 0 0
18 66 1 0 0 0 0
18117 1 0 0 0 0
19 51 1 0 0 0 0
19121 1 0 0 0 0
19122 1 0 0 0 0
60 20 1 6 0 0 0
20 69 1 0 0 0 0
20126 1 0 0 0 0
21 63 1 0 0 0 0
21 66 2 0 0 0 0
22 23 1 0 0 0 0
22 27 1 0 0 0 0
22 71 1 6 0 0 0
23 24 1 0 0 0 0
23 72 1 0 0 0 0
23 73 1 0 0 0 0
24 25 1 0 0 0 0
24 74 1 0 0 0 0
24 75 1 0 0 0 0
25 76 1 0 0 0 0
25 77 1 0 0 0 0
26 28 1 0 0 0 0
28 30 1 1 0 0 0
28 78 1 0 0 0 0
29 31 1 6 0 0 0
29 32 1 0 0 0 0
29 80 1 0 0 0 0
30 33 1 0 0 0 0
30 81 1 0 0 0 0
30 82 1 0 0 0 0
31 35 1 0 0 0 0
31 84 1 0 0 0 0
31 85 1 0 0 0 0
33 42 2 0 0 0 0
33 43 1 0 0 0 0
34 36 1 0 0 0 0
35 38 1 0 0 0 0
35 41 2 0 0 0 0
36 39 1 6 0 0 0
36 86 1 0 0 0 0
37 40 1 0 0 0 0
37 51 1 6 0 0 0
37 87 1 0 0 0 0
38 44 1 0 0 0 0
38 50 2 0 0 0 0
39 49 1 0 0 0 0
39 89 1 0 0 0 0
39 90 1 0 0 0 0
40 45 1 0 0 0 0
40 91 1 0 0 0 0
40 92 1 0 0 0 0
41 93 1 0 0 0 0
42 52 1 0 0 0 0
42 94 1 0 0 0 0
43 53 2 0 0 0 0
43 95 1 0 0 0 0
44 56 2 0 0 0 0
45 47 1 0 0 0 0
45 97 1 0 0 0 0
45 98 1 0 0 0 0
46 48 1 0 0 0 0
46 54 1 0 0 0 0
46100 1 0 0 0 0
47 55 1 0 0 0 0
47101 1 0 0 0 0
47102 1 0 0 0 0
49 63 2 0 0 0 0
50 58 1 0 0 0 0
50103 1 0 0 0 0
52 57 2 0 0 0 0
52104 1 0 0 0 0
53 57 1 0 0 0 0
53105 1 0 0 0 0
54 59 1 0 0 0 0
54106 1 0 0 0 0
54107 1 0 0 0 0
55108 1 0 0 0 0
55109 1 0 0 0 0
56 61 1 0 0 0 0
56110 1 0 0 0 0
57111 1 0 0 0 0
58 61 2 0 0 0 0
58113 1 0 0 0 0
60 62 1 0 0 0 0
60 64 1 0 0 0 0
60114 1 0 0 0 0
61116 1 0 0 0 0
63118 1 0 0 0 0
64 65 1 0 0 0 0
64119 1 0 0 0 0
64120 1 0 0 0 0
65 67 1 0 0 0 0
65123 1 0 0 0 0
65124 1 0 0 0 0
66125 1 0 0 0 0
67 68 1 0 0 0 0
67127 1 0 0 0 0
67128 1 0 0 0 0
68129 1 0 0 0 0
68130 1 0 0 0 0
68131 1 0 0 0 0
69 70 1 0 0 0 0
70132 1 0 0 0 0
70133 1 0 0 0 0
70134 1 0 0 0 0
M END
$$$$