B3F4XL
-OEChem-04042101443D
66 70 0 0 0 0 0 0 0999 V2000
-0.4996 -4.6576 -0.9348 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.0708 3.0291 -1.1241 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8137 -1.4418 2.5320 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9241 2.7459 -1.6932 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3109 0.8700 -0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1831 3.3641 -0.5849 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4279 -5.7001 -1.3290 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8811 -4.7050 -1.3767 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2624 1.9649 0.8905 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7541 -0.4750 1.9802 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5307 -4.4835 0.7557 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0821 0.4698 1.2176 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7288 1.2813 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3560 0.7715 1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -1.3251 2.8922 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1706 1.2146 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5568 1.8007 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8800 0.2695 0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2617 2.1652 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1568 -0.6260 1.8866 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7073 -2.4717 2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 0.2646 1.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8762 2.0416 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2321 -3.3925 1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7913 2.3499 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2712 0.1574 0.8103 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8974 1.8317 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2628 1.9279 -0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7376 0.7966 1.5507 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9589 0.9878 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2234 2.3637 0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1603 -3.1084 -1.4715 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0841 2.2776 -3.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1080 1.6706 0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3066 -2.0315 -1.7106 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5355 -2.9616 -1.6522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8281 -0.8077 -2.1304 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0571 -1.7379 -2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2034 -0.6610 -2.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4312 3.9704 -0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6571 -0.7176 3.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7036 -1.7717 3.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4554 -2.1074 1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2570 -3.0606 2.9202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4372 -0.5135 2.5798 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3643 2.7860 -1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8325 -2.8465 0.6714 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9380 -3.8602 2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8541 3.1487 -0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8300 -0.5723 1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5969 0.3882 2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2286 -4.9774 1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6336 3.0356 -3.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1085 2.1273 -3.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6574 1.3453 -3.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9127 2.7344 0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9113 1.4124 1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1606 1.4698 0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7685 -2.1209 -1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2183 -3.7852 -1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1614 0.0234 -2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1280 -1.6226 -2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6091 0.2895 -2.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2351 4.7433 -1.6851 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8851 4.4371 -0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1040 3.2239 -1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
1 8 2 0 0 0 0
1 11 1 0 0 0 0
1 32 1 0 0 0 0
2 19 2 0 0 0 0
3 20 2 0 0 0 0
4 28 1 0 0 0 0
4 33 1 0 0 0 0
5 30 1 0 0 0 0
5 34 1 0 0 0 0
6 31 1 0 0 0 0
6 40 1 0 0 0 0
9 31 2 0 0 0 0
10 12 1 0 0 0 0
10 15 1 0 0 0 0
10 20 1 0 0 0 0
11 24 1 0 0 0 0
11 52 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 16 1 0 0 0 0
13 19 1 0 0 0 0
14 17 2 0 0 0 0
14 22 1 0 0 0 0
15 21 1 0 0 0 0
15 41 1 0 0 0 0
15 42 1 0 0 0 0
16 18 1 0 0 0 0
16 23 2 0 0 0 0
17 19 1 0 0 0 0
17 25 1 0 0 0 0
18 20 1 0 0 0 0
18 26 2 0 0 0 0
21 24 1 0 0 0 0
21 43 1 0 0 0 0
21 44 1 0 0 0 0
22 29 2 0 0 0 0
22 45 1 0 0 0 0
23 28 1 0 0 0 0
23 46 1 0 0 0 0
24 47 1 0 0 0 0
24 48 1 0 0 0 0
25 27 2 0 0 0 0
25 49 1 0 0 0 0
26 30 1 0 0 0 0
26 50 1 0 0 0 0
27 29 1 0 0 0 0
27 31 1 0 0 0 0
28 30 2 0 0 0 0
29 51 1 0 0 0 0
32 35 2 0 0 0 0
32 36 1 0 0 0 0
33 53 1 0 0 0 0
33 54 1 0 0 0 0
33 55 1 0 0 0 0
34 56 1 0 0 0 0
34 57 1 0 0 0 0
34 58 1 0 0 0 0
35 37 1 0 0 0 0
35 59 1 0 0 0 0
36 38 2 0 0 0 0
36 60 1 0 0 0 0
37 39 2 0 0 0 0
37 61 1 0 0 0 0
38 39 1 0 0 0 0
38 62 1 0 0 0 0
39 63 1 0 0 0 0
40 64 1 0 0 0 0
40 65 1 0 0 0 0
40 66 1 0 0 0 0
M END
$$$$