BE2F9W
-OEChem-04022105572D
92 91 0 0 0 0 0 0 0999 V2000
10.9667 -6.1500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.9642 4.7035 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.0692 -8.4038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.2125 8.6042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.6007 -9.2481 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 7.5696 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
12.4667 -7.0160 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
3.4641 3.8375 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
2.0000 7.5696 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
12.1007 -10.1141 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
8.0611 10.1141 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
5.5793 -9.2872 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
11.4667 -7.0160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
4.4642 3.8375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
11.8328 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4667 -5.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 5.2036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 4.2036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5792 -9.2756 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
7.2009 9.6041 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
6.1974 -7.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9410 -8.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2124 8.6157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2126 8.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1007 -10.1141 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.8660 8.0696 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
11.4667 -8.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7347 -9.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2320 6.7036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 8.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6139 -3.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2239 5.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1639 0.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1038 -4.8798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7141 4.6632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6539 -0.5442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6740 1.1878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1007 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 6.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6007 -7.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 7.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1007 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5938 -5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 5.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5592 -7.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1007 -8.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 7.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1007 -8.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 7.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6007 -7.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 6.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5522 -5.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 6.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0314 -6.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 7.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6139 -4.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7140 4.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1239 -3.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2039 3.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6339 -2.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6940 2.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1238 -3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2038 3.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1439 -1.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1840 2.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6338 -2.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6938 2.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1438 -1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1838 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1639 0.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7907 -8.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 8.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2207 -7.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 5.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2443 -5.1938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 5.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4114 -6.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 7.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6443 -4.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3979 4.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0139 -2.2689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0740 2.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4276 -3.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5200 4.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2537 -2.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3138 2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4600 -0.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4876 1.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0340 -0.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0540 1.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 15 2 0 0 0 0
1 16 2 0 0 0 0
1 42 1 0 0 0 0
2 14 1 0 0 0 0
2 17 2 0 0 0 0
2 18 2 0 0 0 0
2 43 1 0 0 0 0
3 19 1 0 0 0 0
3 21 2 0 0 0 0
3 22 2 0 0 0 0
3 46 1 0 0 0 0
4 20 1 0 0 0 0
4 23 2 0 0 0 0
4 24 2 0 0 0 0
4 47 1 0 0 0 0
5 25 1 0 0 0 0
5 27 2 0 0 0 0
5 28 2 0 0 0 0
5 50 1 0 0 0 0
6 26 1 0 0 0 0
6 29 2 0 0 0 0
6 30 2 0 0 0 0
6 51 1 0 0 0 0
31 58 2 0 0 0 0
32 59 2 0 0 0 0
33 72 2 0 0 0 0
34 44 1 0 0 0 0
34 58 1 0 0 0 0
34 81 1 0 0 0 0
35 45 1 0 0 0 0
35 59 1 0 0 0 0
35 82 1 0 0 0 0
36 66 1 0 0 0 0
36 72 1 0 0 0 0
36 91 1 0 0 0 0
37 67 1 0 0 0 0
37 72 1 0 0 0 0
37 92 1 0 0 0 0
38 40 1 0 0 0 0
38 42 1 0 0 0 0
38 44 2 0 0 0 0
39 41 1 0 0 0 0
39 43 1 0 0 0 0
39 45 2 0 0 0 0
40 46 2 0 0 0 0
40 48 1 0 0 0 0
41 47 2 0 0 0 0
41 49 1 0 0 0 0
42 52 2 0 0 0 0
43 53 2 0 0 0 0
44 54 1 0 0 0 0
45 55 1 0 0 0 0
46 56 1 0 0 0 0
47 57 1 0 0 0 0
48 50 2 0 0 0 0
48 73 1 0 0 0 0
49 51 2 0 0 0 0
49 74 1 0 0 0 0
50 52 1 0 0 0 0
51 53 1 0 0 0 0
52 75 1 0 0 0 0
53 76 1 0 0 0 0
54 56 2 0 0 0 0
54 77 1 0 0 0 0
55 57 2 0 0 0 0
55 78 1 0 0 0 0
56 79 1 0 0 0 0
57 80 1 0 0 0 0
58 60 1 0 0 0 0
59 61 1 0 0 0 0
60 62 2 0 0 0 0
60 64 1 0 0 0 0
61 63 2 0 0 0 0
61 65 1 0 0 0 0
62 66 1 0 0 0 0
62 83 1 0 0 0 0
63 67 1 0 0 0 0
63 84 1 0 0 0 0
64 68 2 0 0 0 0
64 85 1 0 0 0 0
65 69 2 0 0 0 0
65 86 1 0 0 0 0
66 70 2 0 0 0 0
67 71 2 0 0 0 0
68 70 1 0 0 0 0
68 87 1 0 0 0 0
69 71 1 0 0 0 0
69 88 1 0 0 0 0
70 89 1 0 0 0 0
71 90 1 0 0 0 0
M CHG 8 7 1 8 1 9 1 10 1 11 1 12 1 13 -1 14 -1
M CHG 4 19 -1 20 -1 25 -1 26 -1
M END
$$$$