B79GRM
-OEChem-04022103323D
45 49 0 0 0 0 0 0 0999 V2000
1.2507 3.7606 0.3144 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0942 0.6371 0.1998 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3449 2.9813 0.3217 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3148 -0.6557 -0.1206 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2256 -2.0561 1.3238 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2709 -1.0271 -2.0832 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4463 1.7455 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8517 1.7561 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0783 3.0802 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8829 1.1895 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5472 0.7747 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9231 0.2052 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7349 0.5754 0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2470 3.5150 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2247 2.5368 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5601 -0.4395 0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5838 -0.6391 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4539 -1.4276 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5520 -1.3777 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3116 -0.1213 -1.7884 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1843 -0.1308 1.9719 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8786 -1.1558 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6060 -2.8159 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8676 -1.6333 -1.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0116 -2.5396 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8967 -3.3568 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7493 -3.3810 1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2885 -0.2753 -0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5104 4.5618 0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2657 2.8500 -0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3729 4.7569 0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6435 1.4729 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8546 0.3447 -2.6569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9332 -1.0537 2.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3159 0.5223 2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0206 0.3610 2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7423 -0.5195 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7461 -3.4593 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6350 -2.3446 -1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0999 -1.7135 2.2692 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0019 -2.9869 0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0319 -4.4290 -0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9895 -4.0712 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6179 -3.3963 0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0801 -3.7576 2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 9 1 0 0 0 0
1 31 1 0 0 0 0
2 13 1 0 0 0 0
2 17 1 0 0 0 0
2 32 1 0 0 0 0
3 8 2 0 0 0 0
4 13 2 0 0 0 0
4 18 1 0 0 0 0
5 19 1 0 0 0 0
5 27 1 0 0 0 0
5 40 1 0 0 0 0
6 20 1 0 0 0 0
6 24 2 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
7 11 1 0 0 0 0
8 13 1 0 0 0 0
9 14 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
10 15 1 0 0 0 0
11 28 1 0 0 0 0
12 16 1 0 0 0 0
12 20 2 0 0 0 0
14 15 2 0 0 0 0
14 29 1 0 0 0 0
15 30 1 0 0 0 0
16 19 2 0 0 0 0
16 21 1 0 0 0 0
17 18 1 0 0 0 0
17 22 2 0 0 0 0
18 23 2 0 0 0 0
19 24 1 0 0 0 0
20 33 1 0 0 0 0
21 34 1 0 0 0 0
21 35 1 0 0 0 0
21 36 1 0 0 0 0
22 25 1 0 0 0 0
22 37 1 0 0 0 0
23 26 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
25 26 2 0 0 0 0
25 41 1 0 0 0 0
26 42 1 0 0 0 0
27 43 1 0 0 0 0
27 44 1 0 0 0 0
27 45 1 0 0 0 0
M END
$$$$