D09XWA
-OEChem-10101305022D
136140 0 1 0 0 0 0 0999 V2000
8.7179 -1.2002 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.5839 -1.7002 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.1198 -5.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7179 -3.2002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8519 0.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7095 1.6544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1198 -2.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -4.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3160 -5.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1347 4.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3160 -2.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3152 6.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.5121 -2.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8519 -4.7002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1198 0.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2538 -4.2002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1198 -1.7002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5505 2.9416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4500 -4.2002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1820 -3.2002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -3.0265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9879 3.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8289 5.2580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1562 7.8834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6590 -3.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0162 -3.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3170 -2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6438 -3.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3322 -1.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0314 -3.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6894 -2.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 -4.2002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1198 -4.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0153 1.2943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0371 1.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5371 0.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2063 -0.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7179 -4.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2538 -3.2002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9858 -0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 -1.2002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.5839 -4.7002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7584 1.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1198 -2.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5839 -5.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8519 -1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2937 3.6107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.0839 -6.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3160 -4.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2447 3.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1820 -4.2002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0858 4.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0839 -6.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5840 -7.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0480 -4.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4500 -1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5839 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0839 -8.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3160 -1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9141 -4.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3160 -2.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0839 -8.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6210 6.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7801 -4.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9141 -3.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3641 6.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6461 -4.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7801 -2.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6461 -3.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8711 -3.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8042 -4.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5532 -4.1629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9276 -2.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3170 -1.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2544 -3.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6438 -2.6405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4208 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0314 -4.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5442 -1.3909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7953 -1.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2909 -2.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1525 -3.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4608 -3.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8519 -5.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5941 1.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2287 2.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4708 1.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0356 1.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1223 0.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7047 -0.4714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5163 -0.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7169 -4.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7789 -3.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4489 -0.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1209 -5.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5829 -1.3902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5473 -2.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8180 -2.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9824 -6.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9851 -5.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4534 -2.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2504 -2.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9609 3.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1400 -3.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7040 3.8023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9537 2.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7333 2.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7189 -3.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7739 -6.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2040 -7.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6495 -5.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4466 -5.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7189 -2.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -2.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5775 3.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8590 4.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4186 5.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8485 -0.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0514 -0.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9639 -7.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3939 -8.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9266 -1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5280 -1.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7739 -8.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2924 6.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0462 6.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7801 -5.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3771 -2.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1830 -4.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7801 -2.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6170 8.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5666 8.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0491 -3.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 47 1 0 0 0 0
2 58 1 0 0 0 0
3 33 2 0 0 0 0
4 38 2 0 0 0 0
5 40 2 0 0 0 0
6 43 2 0 0 0 0
7 44 2 0 0 0 0
8 50 2 0 0 0 0
9 51 2 0 0 0 0
10 54 2 0 0 0 0
11 63 2 0 0 0 0
12 68 2 0 0 0 0
13 71 1 0 0 0 0
13136 1 0 0 0 0
14 32 1 0 0 0 0
14 38 1 0 0 0 0
14 86 1 0 0 0 0
15 34 1 0 0 0 0
15 37 1 0 0 0 0
15 40 1 0 0 0 0
16 33 1 0 0 0 0
16 39 1 0 0 0 0
16 94 1 0 0 0 0
17 41 1 0 0 0 0
17 44 1 0 0 0 0
17 98 1 0 0 0 0
18 43 1 0 0 0 0
48 18 1 6 0 0 0
18105 1 0 0 0 0
19 42 1 0 0 0 0
19 51 1 0 0 0 0
19106 1 0 0 0 0
20 53 1 0 0 0 0
20 63 1 0 0 0 0
20115 1 0 0 0 0
21 50 1 0 0 0 0
21116 1 0 0 0 0
21117 1 0 0 0 0
22 52 1 0 0 0 0
22118 1 0 0 0 0
22119 1 0 0 0 0
23 54 1 0 0 0 0
23 65 1 0 0 0 0
23120 1 0 0 0 0
24 68 1 0 0 0 0
24134 1 0 0 0 0
24135 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
25 72 1 0 0 0 0
26 30 1 0 0 0 0
26 73 1 0 0 0 0
26 74 1 0 0 0 0
27 29 1 0 0 0 0
27 75 1 0 0 0 0
27 76 1 0 0 0 0
32 28 1 6 0 0 0
28 77 1 0 0 0 0
28 78 1 0 0 0 0
29 31 1 0 0 0 0
29 81 1 0 0 0 0
29 82 1 0 0 0 0
30 31 1 0 0 0 0
30 79 1 0 0 0 0
30 80 1 0 0 0 0
31 83 1 0 0 0 0
31 84 1 0 0 0 0
32 33 1 0 0 0 0
32 85 1 0 0 0 0
34 35 1 0 0 0 0
34 43 1 1 0 0 0
34 87 1 0 0 0 0
35 36 1 0 0 0 0
35 88 1 0 0 0 0
35 89 1 0 0 0 0
36 37 1 0 0 0 0
36 90 1 0 0 0 0
36 91 1 0 0 0 0
37 92 1 0 0 0 0
37 93 1 0 0 0 0
38 42 1 0 0 0 0
39 44 1 0 0 0 0
39 45 1 1 0 0 0
39 95 1 0 0 0 0
41 40 1 6 0 0 0
41 47 1 0 0 0 0
41 96 1 0 0 0 0
42 46 1 1 0 0 0
42 97 1 0 0 0 0
45 50 1 0 0 0 0
45 99 1 0 0 0 0
45100 1 0 0 0 0
46 49 1 0 0 0 0
46101 1 0 0 0 0
46102 1 0 0 0 0
47103 1 0 0 0 0
47104 1 0 0 0 0
48 52 1 0 0 0 0
48 54 1 0 0 0 0
48107 1 0 0 0 0
49 55 2 0 0 0 0
49 56 1 0 0 0 0
51 53 1 0 0 0 0
52108 1 0 0 0 0
52109 1 0 0 0 0
53 57 1 1 0 0 0
53110 1 0 0 0 0
55 59 1 0 0 0 0
55111 1 0 0 0 0
56 60 2 0 0 0 0
56112 1 0 0 0 0
57 62 1 0 0 0 0
57113 1 0 0 0 0
57114 1 0 0 0 0
58 61 1 0 0 0 0
58121 1 0 0 0 0
58122 1 0 0 0 0
59 64 2 0 0 0 0
59123 1 0 0 0 0
60 64 1 0 0 0 0
60124 1 0 0 0 0
61 63 1 0 0 0 0
61125 1 0 0 0 0
61126 1 0 0 0 0
62 66 2 0 0 0 0
62 67 1 0 0 0 0
64127 1 0 0 0 0
65 68 1 0 0 0 0
65128 1 0 0 0 0
65129 1 0 0 0 0
66 69 1 0 0 0 0
66130 1 0 0 0 0
67 70 2 0 0 0 0
67131 1 0 0 0 0
69 71 2 0 0 0 0
69132 1 0 0 0 0
70 71 1 0 0 0 0
70133 1 0 0 0 0
M END
$$$$