D0TL3X
-OEChem-10101305022D
156158 0 1 0 0 0 0 0999 V2000
8.2331 -2.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8999 -6.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2722 -5.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 5.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7169 3.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -7.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0176 1.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 5.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 5.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -3.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.7953 7.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2640 -3.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6691 -4.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6579 -4.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -3.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5991 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -3.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0632 -0.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.9292 -0.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3312 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 5.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.5991 4.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.0632 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7953 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2571 -5.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 3.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.0632 1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.5720 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0480 1.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7953 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0010 3.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8671 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3900 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3749 2.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2241 -2.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8986 -3.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7275 -4.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0795 -4.9216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7979 -5.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6570 -5.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2743 -4.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0501 -5.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9885 -4.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4871 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7341 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 0.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5307 0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4776 -0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0791 -0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 5.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8630 4.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6738 -3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2753 -3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4058 -0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0073 -0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4617 1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0470 0.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9706 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0971 1.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2753 3.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6738 4.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6772 5.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0757 5.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0480 0.8986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6586 1.4110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6002 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8512 5.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4526 5.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0431 6.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 6.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4231 5.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1753 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7953 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4153 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1413 5.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5398 5.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0851 6.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 7.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8451 6.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3900 3.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7795 2.5660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6878 -6.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -4.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4662 -4.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5244 4.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9230 3.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7172 7.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3187 6.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4662 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7953 7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3322 7.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3275 3.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6002 -7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 35 2 0 0 0 0
2 36 2 0 0 0 0
3 42 2 0 0 0 0
4 49 1 0 0 0 0
4140 1 0 0 0 0
5 47 2 0 0 0 0
6 49 2 0 0 0 0
7 55 2 0 0 0 0
8 56 2 0 0 0 0
9 57 2 0 0 0 0
10 59 2 0 0 0 0
11 66 2 0 0 0 0
12 70 2 0 0 0 0
13 78 1 0 0 0 0
13153 1 0 0 0 0
14 79 1 0 0 0 0
14154 1 0 0 0 0
15 78 2 0 0 0 0
16 80 1 0 0 0 0
16155 1 0 0 0 0
17 81 1 0 0 0 0
17156 1 0 0 0 0
18 80 2 0 0 0 0
19 81 2 0 0 0 0
20 31 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
21 37 1 0 0 0 0
21 42 1 0 0 0 0
21 92 1 0 0 0 0
22 36 1 0 0 0 0
22 43 1 0 0 0 0
22 93 1 0 0 0 0
23 39 1 0 0 0 0
23 47 1 0 0 0 0
23103 1 0 0 0 0
24 40 1 0 0 0 0
24 55 1 0 0 0 0
24108 1 0 0 0 0
25 50 1 0 0 0 0
25 56 1 0 0 0 0
25116 1 0 0 0 0
26 51 1 0 0 0 0
26 59 1 0 0 0 0
26119 1 0 0 0 0
27 45 1 0 0 0 0
27 66 1 0 0 0 0
27122 1 0 0 0 0
28 57 1 0 0 0 0
28 64 1 0 0 0 0
28131 1 0 0 0 0
29 65 1 0 0 0 0
29 70 1 0 0 0 0
29139 1 0 0 0 0
30 75 1 0 0 0 0
30151 1 0 0 0 0
30152 1 0 0 0 0
31 32 1 0 0 0 0
31 36 1 0 0 0 0
31 82 1 6 0 0 0
32 33 1 0 0 0 0
32 83 1 0 0 0 0
32 84 1 0 0 0 0
33 34 1 0 0 0 0
33 85 1 0 0 0 0
33 86 1 0 0 0 0
34 87 1 0 0 0 0
34 88 1 0 0 0 0
35 37 1 0 0 0 0
37 38 1 1 0 0 0
37 89 1 0 0 0 0
38 49 1 0 0 0 0
38 90 1 0 0 0 0
38 91 1 0 0 0 0
39 42 1 0 0 0 0
39 46 1 1 0 0 0
39 94 1 0 0 0 0
40 41 1 0 0 0 0
40 47 1 0 0 0 0
40 95 1 6 0 0 0
41 48 1 0 0 0 0
41 52 1 1 0 0 0
41 96 1 0 0 0 0
43 57 1 0 0 0 0
43 97 1 0 0 0 0
43 98 1 0 0 0 0
44 45 1 0 0 0 0
44 54 1 0 0 0 0
44 61 1 1 0 0 0
44 99 1 0 0 0 0
45 56 1 0 0 0 0
45100 1 6 0 0 0
46 62 1 0 0 0 0
46101 1 0 0 0 0
46102 1 0 0 0 0
48 63 1 0 0 0 0
48104 1 0 0 0 0
48105 1 0 0 0 0
50 53 1 1 0 0 0
50 59 1 0 0 0 0
50106 1 0 0 0 0
51 55 1 0 0 0 0
51 58 1 1 0 0 0
51107 1 0 0 0 0
52109 1 0 0 0 0
52110 1 0 0 0 0
52111 1 0 0 0 0
53 60 1 0 0 0 0
53112 1 0 0 0 0
53113 1 0 0 0 0
54 68 1 0 0 0 0
54114 1 0 0 0 0
54115 1 0 0 0 0
58 69 1 0 0 0 0
58117 1 0 0 0 0
58118 1 0 0 0 0
60 67 1 0 0 0 0
60120 1 0 0 0 0
60121 1 0 0 0 0
61123 1 0 0 0 0
61124 1 0 0 0 0
61125 1 0 0 0 0
62 71 2 0 0 0 0
62 72 1 0 0 0 0
63126 1 0 0 0 0
63127 1 0 0 0 0
63128 1 0 0 0 0
64 70 1 0 0 0 0
64 74 1 6 0 0 0
64130 1 0 0 0 0
65 66 1 0 0 0 0
65 73 1 1 0 0 0
65129 1 0 0 0 0
67 75 1 0 0 0 0
67132 1 0 0 0 0
67133 1 0 0 0 0
68134 1 0 0 0 0
68135 1 0 0 0 0
68136 1 0 0 0 0
69 78 1 0 0 0 0
69137 1 0 0 0 0
69138 1 0 0 0 0
71 76 1 0 0 0 0
71141 1 0 0 0 0
72 77 2 0 0 0 0
72142 1 0 0 0 0
73 80 1 0 0 0 0
73143 1 0 0 0 0
73144 1 0 0 0 0
74 81 1 0 0 0 0
74145 1 0 0 0 0
74146 1 0 0 0 0
75147 1 0 0 0 0
75148 1 0 0 0 0
76 79 2 0 0 0 0
76149 1 0 0 0 0
77 79 1 0 0 0 0
77150 1 0 0 0 0
M END
$$$$