B5U4HK
-OEChem-04042103553D
65 67 0 0 0 0 0 0 0999 V2000
-4.6694 1.4959 -0.0081 S 0 0 0 0 0 0 0 0 0 0 0 0
1.1961 1.9528 -0.5239 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4815 -0.9645 -0.4825 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6700 0.1215 1.5198 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0134 2.0795 1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2953 2.0036 -1.2221 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5735 -0.2304 0.5796 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9735 0.9110 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7842 0.2311 -1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8981 1.4884 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7369 -0.8130 -0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8475 0.4252 1.6682 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9679 -0.3219 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9066 -1.0998 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1645 1.8459 -0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9622 1.7825 -1.5469 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7523 1.8007 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9350 1.6284 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3558 -1.8975 0.6987 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2603 -1.8437 -1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5282 0.2960 -0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0987 -0.2232 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3473 1.6736 -1.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1375 1.6919 0.9817 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1623 -0.8886 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3686 -0.9114 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4962 -2.2424 1.3105 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7024 -2.2652 -1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7661 -2.9307 0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8776 -0.1844 2.5557 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3086 -0.2332 -2.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1226 -4.3781 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3345 0.1452 0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3537 0.9894 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1097 -0.2320 -1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3098 1.9202 1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4748 2.3195 0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3443 -1.2371 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1734 -1.6374 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5444 0.8775 2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2889 -0.3523 2.2026 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5099 1.8271 -2.5339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1471 1.8682 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7024 -2.7617 0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3829 -1.3275 1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3765 -2.2724 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3407 -1.9863 -1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8955 -1.2972 -2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7767 -2.8270 -1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0044 0.9587 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5320 0.7933 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5793 0.2465 -0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9353 1.6742 -2.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5574 1.7054 1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5505 -2.7666 2.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9174 -2.8073 -2.0144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8939 0.2750 2.5772 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6784 0.5099 2.8245 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8506 -0.9098 3.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1650 0.4279 -2.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3558 0.2506 -2.6587 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3854 -0.9817 -3.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2084 -4.4955 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7719 -4.8978 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6584 -4.8753 1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 18 1 0 0 0 0
1 22 1 0 0 0 0
2 8 1 0 0 0 0
2 15 1 0 0 0 0
3 13 1 0 0 0 0
3 14 1 0 0 0 0
4 13 2 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
7 13 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 33 1 0 0 0 0
9 11 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 0 0 0 0
10 12 1 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
11 38 1 0 0 0 0
11 39 1 0 0 0 0
12 40 1 0 0 0 0
12 41 1 0 0 0 0
14 19 1 0 0 0 0
14 20 1 0 0 0 0
14 21 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
16 23 1 0 0 0 0
16 42 1 0 0 0 0
17 24 2 0 0 0 0
17 43 1 0 0 0 0
18 23 2 0 0 0 0
18 24 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
19 46 1 0 0 0 0
20 47 1 0 0 0 0
20 48 1 0 0 0 0
20 49 1 0 0 0 0
21 50 1 0 0 0 0
21 51 1 0 0 0 0
21 52 1 0 0 0 0
22 25 2 0 0 0 0
22 26 1 0 0 0 0
23 53 1 0 0 0 0
24 54 1 0 0 0 0
25 27 1 0 0 0 0
25 30 1 0 0 0 0
26 28 2 0 0 0 0
26 31 1 0 0 0 0
27 29 2 0 0 0 0
27 55 1 0 0 0 0
28 29 1 0 0 0 0
28 56 1 0 0 0 0
29 32 1 0 0 0 0
30 57 1 0 0 0 0
30 58 1 0 0 0 0
30 59 1 0 0 0 0
31 60 1 0 0 0 0
31 61 1 0 0 0 0
31 62 1 0 0 0 0
32 63 1 0 0 0 0
32 64 1 0 0 0 0
32 65 1 0 0 0 0
M END
$$$$