B4BW2M
-OEChem-04022118143D
49 51 0 0 0 0 0 0 0999 V2000
3.7959 0.2767 -0.2746 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3323 -2.3926 1.5689 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5883 -0.4039 0.1724 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3021 -1.0461 -0.3526 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1751 1.8985 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3290 2.7098 0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6406 2.5364 -0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9335 4.1679 1.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2498 3.9956 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4006 4.8039 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6321 0.5030 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6343 -1.8044 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4946 -2.5911 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8423 -2.3962 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5628 -3.9694 -0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7832 -2.0045 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9107 -3.7747 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7709 -4.5613 -0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5217 -0.3319 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3748 -0.5527 0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8694 0.5918 -1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9234 1.0742 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5758 0.1504 0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0703 1.2948 -1.1451 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2074 1.8258 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3696 1.8709 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2026 2.6833 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6501 2.2696 1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7694 1.9793 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3980 2.4789 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1663 4.2242 1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7991 4.7349 1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9383 4.4410 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3851 4.0436 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0645 5.8260 0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 4.8772 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6805 -0.0308 0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7689 -1.8615 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3176 -4.5950 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8507 -4.2370 -0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8240 -5.6345 -0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7479 -0.8295 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1753 -1.2496 1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2128 0.7740 -2.0877 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2322 -0.0281 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3291 2.0135 -1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0548 2.7561 0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6022 2.0707 -0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9729 1.2325 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 16 2 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
3 37 1 0 0 0 0
4 16 1 0 0 0 0
4 19 1 0 0 0 0
4 42 1 0 0 0 0
5 6 1 0 0 0 0
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5 11 1 0 0 0 0
5 26 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 31 1 0 0 0 0
8 32 1 0 0 0 0
9 10 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
14 38 1 0 0 0 0
15 18 1 0 0 0 0
15 39 1 0 0 0 0
17 18 2 0 0 0 0
17 40 1 0 0 0 0
18 41 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 23 1 0 0 0 0
20 43 1 0 0 0 0
21 24 2 0 0 0 0
21 44 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
23 45 1 0 0 0 0
24 46 1 0 0 0 0
25 47 1 0 0 0 0
25 48 1 0 0 0 0
25 49 1 0 0 0 0
M END
$$$$