B1GC2Y
-OEChem-04012114453D
40 43 0 1 0 0 0 0 0999 V2000
-0.1276 -2.3146 0.5973 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.8085 1.4314 0.0800 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.6145 0.1313 -1.6587 F 0 0 0 0 0 0 0 0 0 0 0 0
-5.1785 -0.7078 0.2734 F 0 0 0 0 0 0 0 0 0 0 0 0
0.1460 1.6340 -1.3282 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1636 2.9487 -1.4207 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 -3.4353 -0.1307 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0002 -2.3644 2.0418 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9313 -0.8851 0.1508 N 0 0 1 0 0 0 0 0 0 0 0 0
-2.3119 -1.0837 -0.3208 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9042 0.2702 1.0984 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1516 1.0575 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3574 1.0931 1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9524 -0.0041 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7786 1.6952 -0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1439 1.2696 2.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4783 -2.0008 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3917 0.2120 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9307 2.4459 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3211 2.0365 2.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7252 2.6358 0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0288 2.4305 -2.1444 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5546 -1.7620 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6685 -1.9883 -1.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8214 -1.5106 0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9352 -1.7370 -1.9801 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0117 -1.4980 -1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0723 -0.1013 2.1177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9845 1.8830 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6861 1.4402 1.5678 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8576 0.8146 3.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9214 2.1622 3.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6325 3.2271 0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 3.2722 -2.5571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3937 1.8116 -2.9722 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4353 -1.7652 1.8627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8389 -2.1680 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6592 -1.3231 0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0830 -1.7251 -3.0559 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9976 -1.3009 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
1 8 2 0 0 0 0
1 9 1 0 0 0 0
1 17 1 0 0 0 0
2 18 1 0 0 0 0
3 18 1 0 0 0 0
4 18 1 0 0 0 0
5 15 1 0 0 0 0
5 22 1 0 0 0 0
6 19 1 0 0 0 0
6 22 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
10 14 2 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 28 1 0 0 0 0
12 14 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
16 20 2 0 0 0 0
16 31 1 0 0 0 0
17 23 2 0 0 0 0
17 24 1 0 0 0 0
19 21 2 0 0 0 0
20 21 1 0 0 0 0
20 32 1 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
22 35 1 0 0 0 0
23 25 1 0 0 0 0
23 36 1 0 0 0 0
24 26 2 0 0 0 0
24 37 1 0 0 0 0
25 27 2 0 0 0 0
25 38 1 0 0 0 0
26 27 1 0 0 0 0
26 39 1 0 0 0 0
27 40 1 0 0 0 0
M END
$$$$