B9SBH1
-OEChem-04022113523D
50 53 0 1 0 0 0 0 0999 V2000
3.5603 1.6285 -0.5752 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2418 -0.2128 0.2123 N 0 0 1 0 0 0 0 0 0 0 0 0
4.7787 -0.0749 0.4097 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0267 2.7513 1.3389 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0844 -0.4681 -2.7438 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.1174 -0.1133 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7709 -0.9631 0.8094 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8111 0.8768 -0.5836 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4351 0.2654 1.0114 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4567 1.4132 1.3015 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6056 -0.7561 0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3860 1.2441 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6335 0.6795 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0606 0.2567 -0.2141 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9111 -1.2065 1.3251 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0823 -0.5314 0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3007 -1.7636 1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5433 -0.6840 -0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0216 -0.5334 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0739 -0.1486 -1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6849 -1.4280 0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7279 0.5006 -1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0542 -1.2887 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0974 0.6400 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7605 -0.2546 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0119 -0.4733 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0365 0.6442 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7430 -0.1419 1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9933 1.2245 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9975 -0.8847 -0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6160 -1.7348 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5420 1.7511 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7229 1.6367 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2344 1.3358 -0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1238 -1.9455 1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8387 -0.8253 2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3699 0.0490 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9941 -0.7886 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -2.4982 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7361 -2.2494 1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3587 -1.7557 -1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2461 -0.1978 -1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7119 2.8114 2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2979 3.4301 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1452 -2.2374 0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2223 1.2052 -1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5313 -2.0069 1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6083 1.4600 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8099 -0.9433 1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8587 1.2831 -0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
2 18 1 0 0 0 0
3 13 1 0 0 0 0
3 14 1 0 0 0 0
3 15 1 0 0 0 0
4 10 1 0 0 0 0
4 43 1 0 0 0 0
4 44 1 0 0 0 0
5 20 3 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 25 1 0 0 0 0
7 26 2 0 0 0 0
8 27 2 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
9 28 1 0 0 0 0
10 12 1 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
14 16 1 0 0 0 0
14 20 1 0 0 0 0
14 34 1 0 0 0 0
15 17 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 17 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 19 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
21 23 1 0 0 0 0
21 45 1 0 0 0 0
22 24 2 0 0 0 0
22 46 1 0 0 0 0
23 25 2 0 0 0 0
23 47 1 0 0 0 0
24 25 1 0 0 0 0
24 48 1 0 0 0 0
26 27 1 0 0 0 0
26 49 1 0 0 0 0
27 50 1 0 0 0 0
M END
$$$$