B3PSR7
-OEChem-04042105273D
41 42 0 0 0 0 0 0 0999 V2000
-1.3692 3.5247 0.5256 S 0 0 0 0 0 0 0 0 0 0 0 0
5.0996 -2.3010 -0.1014 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3784 -1.8997 0.2502 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8054 0.2284 0.0675 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9843 2.6347 -0.2466 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6508 0.9602 -0.2264 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5283 -0.3430 1.2121 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2809 -0.8477 -0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7265 1.1044 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6407 -1.2619 0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4222 -1.7555 -1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0435 1.7603 -0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3521 2.3010 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8603 0.2285 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8129 -1.0838 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0563 0.8456 -0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0020 -1.8032 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2453 0.1262 -0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2182 -1.1983 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5858 -1.2201 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9713 0.4545 1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8410 -0.9146 1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5328 -1.4389 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8240 -0.4719 -1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9973 0.5532 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1368 1.8934 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3999 -0.7088 0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1415 -1.7346 1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0258 -2.5925 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1407 -1.2206 -1.8674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6212 1.0644 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7634 2.3853 -1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2362 3.6050 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1578 0.3459 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8708 -1.5634 0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1174 1.8458 -0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9746 -2.8345 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1528 0.6515 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6031 -0.9371 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4087 -1.9255 0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7677 -0.3661 0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 10 1 0 0 0 0
2 11 1 0 0 0 0
3 19 1 0 0 0 0
3 20 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
5 33 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
6 34 1 0 0 0 0
7 10 1 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 11 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 12 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
15 35 1 0 0 0 0
16 18 2 0 0 0 0
16 36 1 0 0 0 0
17 19 2 0 0 0 0
17 37 1 0 0 0 0
18 19 1 0 0 0 0
18 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
M END
$$$$