D03RNX
-OEChem-04152110382D
103104 0 1 0 0 0 0 0999 V2000
7.2393 0.4778 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0
7.2393 -1.2543 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0
11.5974 -2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1054 -0.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3733 -1.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7393 -0.3883 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
7.7393 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9246 -0.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1459 0.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 1.6707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3858 -2.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6166 1.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5034 -2.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.5034 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5034 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0068 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0068 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5101 -0.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5974 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7034 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0001 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5101 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7034 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0134 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0134 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5167 1.1659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.8374 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0134 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8374 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5167 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9714 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9714 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0201 2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0201 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0201 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8374 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8374 -3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5234 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1054 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.5234 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0267 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5073 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4246 -0.0518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4028 -0.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0179 0.8617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5937 -1.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0233 0.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3934 -2.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0852 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1143 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7125 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1168 -0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4250 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8901 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8967 -2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5885 -1.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9910 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1928 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4001 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0919 -0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4620 -3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3080 -3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5382 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1234 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4316 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9034 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5952 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8288 1.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5516 0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7055 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4753 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4067 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.0985 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.1301 2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4383 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5582 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.7122 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4820 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.9100 1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21.6019 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4574 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8374 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2174 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2174 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8374 -4.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4574 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.9034 2.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7954 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5684 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4154 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
22.5210 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
23.1434 2.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
22.5258 3.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21.5649 4.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.7188 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.4886 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5758 -0.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6345 0.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4218 0.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0666 0.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0170 1.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3535 2.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
2 7 2 0 0 0 0
3 13 1 0 0 0 0
3 23 1 0 0 0 0
4 32 1 0 0 0 0
5 42 1 0 0 0 0
8 43 1 0 0 0 0
8 46 1 0 0 0 0
9 44 1 0 0 0 0
9101 1 0 0 0 0
45 10 1 6 0 0 0
10102 1 0 0 0 0
11 46 2 0 0 0 0
12 47 1 0 0 0 0
12103 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 21 1 6 0 0 0
14 16 1 0 0 0 0
14 48 1 0 0 0 0
14 49 1 0 0 0 0
15 19 1 0 0 0 0
15 50 1 0 0 0 0
15 51 1 0 0 0 0
16 17 1 0 0 0 0
16 52 1 0 0 0 0
16 53 1 0 0 0 0
17 18 1 0 0 0 0
17 55 1 0 0 0 0
17 56 1 0 0 0 0
18 22 1 0 0 0 0
18 28 1 6 0 0 0
18 54 1 0 0 0 0
19 20 1 0 0 0 0
19 57 1 0 0 0 0
19 58 1 0 0 0 0
20 23 2 0 0 0 0
20 27 1 0 0 0 0
21 61 1 0 0 0 0
21 62 1 0 0 0 0
21 63 1 0 0 0 0
22 24 1 0 0 0 0
22 59 1 0 0 0 0
22 60 1 0 0 0 0
23 29 1 0 0 0 0
24 25 1 0 0 0 0
24 64 1 0 0 0 0
24 65 1 0 0 0 0
25 26 1 0 0 0 0
25 66 1 0 0 0 0
25 67 1 0 0 0 0
26 30 1 0 0 0 0
26 34 1 6 0 0 0
26 68 1 0 0 0 0
27 32 2 0 0 0 0
27 36 1 0 0 0 0
28 69 1 0 0 0 0
28 70 1 0 0 0 0
28 71 1 0 0 0 0
29 31 2 0 0 0 0
29 37 1 0 0 0 0
30 33 1 0 0 0 0
30 72 1 0 0 0 0
30 73 1 0 0 0 0
31 32 1 0 0 0 0
31 39 1 0 0 0 0
33 35 1 0 0 0 0
33 74 1 0 0 0 0
33 75 1 0 0 0 0
34 76 1 0 0 0 0
34 77 1 0 0 0 0
34 78 1 0 0 0 0
35 38 1 0 0 0 0
35 79 1 0 0 0 0
35 80 1 0 0 0 0
36 81 1 0 0 0 0
36 82 1 0 0 0 0
36 83 1 0 0 0 0
37 84 1 0 0 0 0
37 85 1 0 0 0 0
37 86 1 0 0 0 0
38 40 1 0 0 0 0
38 41 1 0 0 0 0
38 87 1 0 0 0 0
39 88 1 0 0 0 0
39 89 1 0 0 0 0
39 90 1 0 0 0 0
40 91 1 0 0 0 0
40 92 1 0 0 0 0
40 93 1 0 0 0 0
41 94 1 0 0 0 0
41 95 1 0 0 0 0
41 96 1 0 0 0 0
42 44 2 0 0 0 0
42 46 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
43 97 1 1 0 0 0
45 47 1 0 0 0 0
45 98 1 0 0 0 0
47 99 1 0 0 0 0
47100 1 0 0 0 0
M CHG 2 1 1 6 -1
M END
$$$$