BC3B2W
-OEChem-04022113523D
52 55 0 1 0 0 0 0 0999 V2000
3.8499 -1.7197 0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4696 -0.7266 0.4191 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5946 0.3097 -0.2026 N 0 0 1 0 0 0 0 0 0 0 0 0
5.1279 0.0661 -0.3785 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3094 -2.5231 -1.7114 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4046 -0.0165 2.8101 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.6160 1.2006 -0.7072 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.8781 0.6389 -0.6560 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 -0.1189 -1.0413 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7768 -1.1865 -1.4950 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9731 0.8083 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6980 -1.1346 -0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9595 -0.6748 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3921 -0.3858 0.2045 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3035 1.3082 -1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4457 0.4772 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7048 1.7817 -0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1910 0.6441 0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6699 0.5720 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3991 -0.1793 1.6613 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2973 1.5926 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4123 -0.5152 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6673 1.5258 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7823 -0.5820 0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4097 0.4384 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8266 0.3700 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7450 -0.4841 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7575 -1.4865 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1146 0.4082 -1.9415 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3312 -0.8515 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3557 0.7844 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0172 1.8446 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2403 -1.5700 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0116 -1.6664 0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5364 -1.4490 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5352 2.0399 -0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2332 1.0737 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7280 0.0156 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3575 0.6295 0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6764 2.3985 0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1646 2.3703 -1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0216 1.6775 1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0807 0.0250 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0020 -2.4995 -2.4584 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5645 -3.1441 -2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7296 2.4448 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9349 -1.3175 1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1359 2.3323 -0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3274 -1.4445 1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5035 -2.4595 -0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8262 -1.5961 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7422 -1.1935 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 26 1 0 0 0 0
2 27 1 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
3 18 1 0 0 0 0
4 13 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
5 10 1 0 0 0 0
5 44 1 0 0 0 0
5 45 1 0 0 0 0
6 20 3 0 0 0 0
7 8 1 0 0 0 0
7 26 2 0 0 0 0
8 27 2 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
9 29 1 0 0 0 0
10 12 1 0 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
14 16 1 0 0 0 0
14 20 1 0 0 0 0
14 35 1 0 0 0 0
15 17 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 17 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
18 19 1 0 0 0 0
18 42 1 0 0 0 0
18 43 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
21 23 1 0 0 0 0
21 46 1 0 0 0 0
22 24 2 0 0 0 0
22 47 1 0 0 0 0
23 25 2 0 0 0 0
23 48 1 0 0 0 0
24 25 1 0 0 0 0
24 49 1 0 0 0 0
25 26 1 0 0 0 0
27 28 1 0 0 0 0
28 50 1 0 0 0 0
28 51 1 0 0 0 0
28 52 1 0 0 0 0
M END
$$$$