B54NHQ
-OEChem-04022113173D
47 49 0 0 0 0 0 0 0999 V2000
4.3297 1.0066 -2.0441 F 0 0 0 0 0 0 0 0 0 0 0 0
4.1956 2.8215 -0.8409 F 0 0 0 0 0 0 0 0 0 0 0 0
5.9958 1.5972 -0.7776 F 0 0 0 0 0 0 0 0 0 0 0 0
4.3521 -1.3942 -0.6717 F 0 0 0 0 0 0 0 0 0 0 0 0
4.2778 -1.3368 1.5042 F 0 0 0 0 0 0 0 0 0 0 0 0
6.0281 -0.5771 0.4616 F 0 0 0 0 0 0 0 0 0 0 0 0
4.4804 1.4371 1.5167 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0574 0.9994 -0.0394 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0467 3.0625 0.1065 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6255 0.5256 0.1059 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6866 -0.2920 -0.0162 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8484 -4.5357 -0.1326 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0297 0.7480 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5406 0.6909 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2447 0.5824 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6446 1.5458 -0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6809 -0.6504 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9077 0.1160 -0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7808 1.2113 1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5149 0.0618 -0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3881 1.1572 1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4073 -0.5924 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4594 1.6078 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7260 1.0781 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8761 -1.9380 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1394 -2.7517 -1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0995 -2.4216 1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9520 1.8160 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6071 -4.0310 -1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -3.7157 0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3465 1.6218 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4105 0.5494 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -0.3032 -1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2320 1.6664 2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0428 -0.3788 -1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1876 1.5626 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0988 2.6264 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4081 0.8215 2.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7393 -2.4094 -1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8795 -1.8268 1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7827 -4.7049 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0050 -4.1410 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4828 2.2000 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4132 2.2922 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2732 -0.0488 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3416 -0.1394 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4107 0.9912 -0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 16 1 0 0 0 0
3 16 1 0 0 0 0
4 17 1 0 0 0 0
5 17 1 0 0 0 0
6 17 1 0 0 0 0
7 13 1 0 0 0 0
7 38 1 0 0 0 0
8 28 1 0 0 0 0
8 31 1 0 0 0 0
9 28 2 0 0 0 0
10 15 1 0 0 0 0
10 22 1 0 0 0 0
10 23 1 0 0 0 0
11 22 2 0 0 0 0
11 24 1 0 0 0 0
12 29 2 0 0 0 0
12 30 1 0 0 0 0
13 14 1 0 0 0 0
13 16 1 0 0 0 0
13 17 1 0 0 0 0
14 18 2 0 0 0 0
14 19 1 0 0 0 0
15 20 2 0 0 0 0
15 21 1 0 0 0 0
18 20 1 0 0 0 0
18 33 1 0 0 0 0
19 21 2 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
21 36 1 0 0 0 0
22 25 1 0 0 0 0
23 24 2 0 0 0 0
23 37 1 0 0 0 0
24 28 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
26 29 1 0 0 0 0
26 39 1 0 0 0 0
27 30 2 0 0 0 0
27 40 1 0 0 0 0
29 41 1 0 0 0 0
30 42 1 0 0 0 0
31 32 1 0 0 0 0
31 43 1 0 0 0 0
31 44 1 0 0 0 0
32 45 1 0 0 0 0
32 46 1 0 0 0 0
32 47 1 0 0 0 0
M END
$$$$