BQS3R7
-OEChem-04042103523D
50 53 0 0 0 0 0 0 0999 V2000
-3.3037 2.8422 -0.0082 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7849 -3.4320 -0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5345 1.3317 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7768 -0.3484 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6123 1.6426 0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5587 -1.9043 0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4874 -0.7757 -0.0043 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9426 -0.5707 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0400 0.4291 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6093 0.1686 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2968 0.0008 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1880 -1.1697 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1799 1.3907 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7633 1.7199 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1934 -2.2717 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6428 1.1818 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1779 -1.4842 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5749 -0.5394 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1273 -0.4644 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5791 -2.9427 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2526 2.2665 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7178 0.8657 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6867 0.3175 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5267 1.7102 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8999 -0.6537 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1131 0.2777 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5803 0.1061 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4363 -0.4868 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6473 0.4196 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0127 0.3731 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9214 2.2311 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5079 -2.5205 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7668 -1.6041 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1859 -2.8644 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1819 -2.8630 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1230 -3.9374 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1140 3.3414 -0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3920 1.7107 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6882 -0.1055 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4016 2.3540 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7044 -1.7703 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9245 -1.2995 0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9247 -1.2959 -0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0742 0.9356 -0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0688 0.9374 0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4958 -1.1165 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4837 -1.1280 0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1055 0.9896 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0763 0.9906 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8300 -0.3528 -0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 15 2 0 0 0 0
3 27 2 0 0 0 0
4 29 1 0 0 0 0
4 30 1 0 0 0 0
5 29 2 0 0 0 0
6 8 1 0 0 0 0
6 15 1 0 0 0 0
6 20 1 0 0 0 0
7 19 1 0 0 0 0
7 27 1 0 0 0 0
7 41 1 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
10 12 2 0 0 0 0
10 16 1 0 0 0 0
11 13 1 0 0 0 0
11 18 2 0 0 0 0
12 15 1 0 0 0 0
12 17 1 0 0 0 0
13 14 1 0 0 0 0
13 21 2 0 0 0 0
16 22 2 0 0 0 0
16 31 1 0 0 0 0
17 19 2 0 0 0 0
17 32 1 0 0 0 0
18 23 1 0 0 0 0
18 33 1 0 0 0 0
19 22 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
20 36 1 0 0 0 0
21 24 1 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
23 24 2 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
26 28 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
28 29 1 0 0 0 0
28 46 1 0 0 0 0
28 47 1 0 0 0 0
30 48 1 0 0 0 0
30 49 1 0 0 0 0
30 50 1 0 0 0 0
M END
$$$$