B5MNF6
-OEChem-04022106443D
83 87 0 1 0 0 0 0 0999 V2000
4.4960 -1.4442 1.2231 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 -0.3333 -3.7697 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5801 1.5366 -0.6895 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6509 2.3199 -0.0788 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2549 -1.5972 0.5887 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6052 -0.8430 -0.6395 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3231 1.1187 1.3990 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6677 1.4220 -2.6279 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0119 -2.0329 -0.2635 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8950 -1.0244 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9521 -3.1891 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4898 -1.4727 -1.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2280 -2.8980 0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4676 -0.3215 -1.3749 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3625 -0.9701 1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1045 0.4189 1.6780 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6681 -4.4207 -1.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7803 0.3572 3.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2494 -3.8333 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4367 1.7239 3.7909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9898 0.2215 -2.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 -5.3670 -1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9705 -5.0740 -0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4538 -0.0240 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6638 2.6384 3.7415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2587 2.4054 3.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3901 1.4622 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1042 2.0930 -1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6159 1.7162 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5921 -0.6311 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7417 2.2385 0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2801 3.4806 -1.5764 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7542 2.1082 -1.9909 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8641 3.6229 0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6509 4.2417 -0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8220 0.0143 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4091 -1.8349 1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9880 1.4796 -2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5012 1.7909 -2.8041 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9282 3.6187 -1.8395 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8867 -0.5535 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4740 -2.4027 1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7127 -1.7619 2.0221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8166 -2.3543 0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9593 -0.0620 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5159 -0.8523 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9813 -2.2725 -2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3528 -1.1364 -2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9631 0.4878 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3003 0.9149 1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3242 -4.6487 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6189 -0.0895 3.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9301 -0.3174 3.3275 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2504 -3.6437 0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1719 1.5516 4.8415 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4897 -6.3370 -1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7561 -5.8212 -0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0619 1.1075 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8234 3.0967 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5145 3.4733 4.4375 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5731 2.1212 4.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9474 3.2905 3.6592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3984 1.7306 3.0331 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 2.7406 2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8064 1.9080 -3.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9286 1.7825 1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0964 3.9887 -2.5208 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1412 4.2151 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7615 5.3180 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0088 0.9334 0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4512 -2.3476 1.2998 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9990 0.3937 -2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9918 1.6687 -3.7171 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9415 1.8662 -2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6077 2.1960 -2.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3486 0.7076 -2.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5571 2.1995 -3.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1876 4.0298 -1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7935 4.1180 -2.8064 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9126 3.9300 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8542 -0.0598 1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3384 -3.3428 2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5422 -2.2049 2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 2 0 0 0 0
2 21 2 0 0 0 0
3 29 1 0 0 0 0
3 33 1 0 0 0 0
4 29 2 0 0 0 0
5 10 1 0 0 0 0
5 13 1 0 0 0 0
5 15 1 0 0 0 0
6 14 1 0 0 0 0
6 24 2 0 0 0 0
7 16 1 0 0 0 0
7 29 1 0 0 0 0
7 58 1 0 0 0 0
8 21 1 0 0 0 0
8 28 1 0 0 0 0
8 65 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 44 1 0 0 0 0
10 45 1 0 0 0 0
10 46 1 0 0 0 0
11 13 1 0 0 0 0
11 17 2 0 0 0 0
12 14 1 0 0 0 0
12 47 1 0 0 0 0
12 48 1 0 0 0 0
13 19 2 0 0 0 0
14 21 1 0 0 0 0
14 49 1 0 0 0 0
15 16 1 0 0 0 0
16 18 1 0 0 0 0
16 50 1 0 0 0 0
17 22 1 0 0 0 0
17 51 1 0 0 0 0
18 20 1 0 0 0 0
18 52 1 0 0 0 0
18 53 1 0 0 0 0
19 23 1 0 0 0 0
19 54 1 0 0 0 0
20 25 1 0 0 0 0
20 26 1 0 0 0 0
20 55 1 0 0 0 0
22 23 2 0 0 0 0
22 56 1 0 0 0 0
23 57 1 0 0 0 0
24 27 1 0 0 0 0
24 30 1 0 0 0 0
25 59 1 0 0 0 0
25 60 1 0 0 0 0
25 61 1 0 0 0 0
26 62 1 0 0 0 0
26 63 1 0 0 0 0
26 64 1 0 0 0 0
27 28 1 0 0 0 0
27 31 2 0 0 0 0
28 32 2 0 0 0 0
30 36 2 0 0 0 0
30 37 1 0 0 0 0
31 34 1 0 0 0 0
31 66 1 0 0 0 0
32 35 1 0 0 0 0
32 67 1 0 0 0 0
33 38 1 0 0 0 0
33 39 1 0 0 0 0
33 40 1 0 0 0 0
34 35 2 0 0 0 0
34 68 1 0 0 0 0
35 69 1 0 0 0 0
36 41 1 0 0 0 0
36 70 1 0 0 0 0
37 42 2 0 0 0 0
37 71 1 0 0 0 0
38 72 1 0 0 0 0
38 73 1 0 0 0 0
38 74 1 0 0 0 0
39 75 1 0 0 0 0
39 76 1 0 0 0 0
39 77 1 0 0 0 0
40 78 1 0 0 0 0
40 79 1 0 0 0 0
40 80 1 0 0 0 0
41 43 2 0 0 0 0
41 81 1 0 0 0 0
42 43 1 0 0 0 0
42 82 1 0 0 0 0
43 83 1 0 0 0 0
M END
$$$$