B8JXR1
-OEChem-04022106293D
54 55 0 1 0 0 0 0 0999 V2000
1.2749 -1.4922 1.6565 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1946 -0.2623 -0.2470 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6190 -1.1129 -1.6853 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9341 -1.7747 0.0549 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0228 0.1761 0.1504 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9557 6.2967 0.3529 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4358 -3.0137 0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6186 -1.3662 -1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9359 -2.9227 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1233 -1.2445 -0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6981 -2.5248 -0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 0.1619 -0.0349 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8581 -1.1076 0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0993 1.3720 0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7152 2.6852 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4817 3.8696 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1853 5.1948 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9172 -0.4620 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2283 -0.8718 -1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5592 -0.5575 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0915 -1.4114 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2478 0.5850 -0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3286 -1.1192 1.1236 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4847 0.8772 -0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0251 0.0250 0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2194 -3.8269 -0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9086 -3.2382 1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2750 -0.4150 -1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4077 -2.1325 -1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1220 -2.1758 1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3077 -3.8832 1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6288 -1.0211 -1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3207 -0.4065 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6369 -3.3362 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7587 -2.3818 -0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5458 0.1377 -1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8564 1.4407 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1866 1.2373 0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6381 2.8638 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9372 2.6126 -1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5584 3.6642 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2339 3.9585 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4002 0.6448 0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1183 5.4274 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4169 5.1073 -1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7736 7.1452 -0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9517 6.1044 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0737 -1.9575 -1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1881 -0.4911 -2.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5564 -2.3042 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8352 1.2568 -1.5505 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7491 -1.7822 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0270 1.7685 -0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9881 0.2528 1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 18 1 0 0 0 0
2 19 1 0 0 0 0
3 18 2 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 13 1 0 0 0 0
5 12 1 0 0 0 0
5 18 1 0 0 0 0
5 43 1 0 0 0 0
6 17 1 0 0 0 0
6 46 1 0 0 0 0
6 47 1 0 0 0 0
7 9 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 11 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
10 11 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 36 1 0 0 0 0
14 15 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 16 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
16 17 1 0 0 0 0
16 41 1 0 0 0 0
16 42 1 0 0 0 0
17 44 1 0 0 0 0
17 45 1 0 0 0 0
19 20 1 0 0 0 0
19 48 1 0 0 0 0
19 49 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 50 1 0 0 0 0
22 24 2 0 0 0 0
22 51 1 0 0 0 0
23 25 2 0 0 0 0
23 52 1 0 0 0 0
24 25 1 0 0 0 0
24 53 1 0 0 0 0
25 54 1 0 0 0 0
M END
$$$$