B8RVA9
-OEChem-04042107023D
43 47 0 0 0 0 0 0 0999 V2000
-0.2611 0.2188 1.0208 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1693 0.3499 2.8197 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1057 0.2721 -1.3135 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3359 0.6258 -0.1744 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1440 -1.0339 0.7357 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0951 2.8240 0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6901 3.5807 -0.7977 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4968 1.4245 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9163 2.7795 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5168 1.3895 -0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0355 0.2364 0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6111 -0.9604 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6509 -0.8965 -0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9739 0.2750 1.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1765 -2.2032 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2106 -2.0933 -1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7571 -3.3829 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7741 -3.3276 -0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3884 0.2506 1.9028 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6155 0.1784 1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3095 1.2182 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1922 -0.7494 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3584 1.2102 -0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1590 -1.5824 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2647 0.4191 -1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1509 -1.0233 -1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0109 2.9576 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5573 3.1461 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9360 4.6194 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9502 3.6045 -1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8165 3.0810 -0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0804 2.8679 -2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3832 -2.2814 1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0096 -2.0794 -1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4170 -4.3414 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2316 -4.2443 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3797 1.1797 2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3508 -0.6078 2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1810 2.2914 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3843 2.2909 -0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0844 -2.6591 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0789 0.8242 -2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8955 -1.6403 -1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 19 1 0 0 0 0
2 14 2 0 0 0 0
3 10 2 0 0 0 0
3 13 1 0 0 0 0
4 21 1 0 0 0 0
4 22 1 0 0 0 0
4 23 1 0 0 0 0
5 20 1 0 0 0 0
5 22 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 9 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
9 10 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
11 12 1 0 0 0 0
11 14 1 0 0 0 0
12 13 1 0 0 0 0
12 15 2 0 0 0 0
13 16 2 0 0 0 0
15 17 1 0 0 0 0
15 33 1 0 0 0 0
16 18 1 0 0 0 0
16 34 1 0 0 0 0
17 18 2 0 0 0 0
17 35 1 0 0 0 0
18 36 1 0 0 0 0
19 20 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
20 21 2 0 0 0 0
21 39 1 0 0 0 0
22 24 1 0 0 0 0
23 25 2 0 0 0 0
23 40 1 0 0 0 0
24 26 2 0 0 0 0
24 41 1 0 0 0 0
25 26 1 0 0 0 0
25 42 1 0 0 0 0
26 43 1 0 0 0 0
M END
$$$$